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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (346)
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1

Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 64965
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
MDL Number MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
IUPAC Name 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2

1,2,4-Triazole, 99%

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

EDGE
PubChem CID 9257
CAS 288-88-0
Molecular Weight (g/mol) 69.067
ChEBI CHEBI:35550
MDL Number MFCD00005228
SMILES C1=NC=NN1
Synonym 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
IUPAC Name 1H-1,2,4-triazole
InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula C2H3N3
3

1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
4

1-Vinylimidazole, 99%

CAS: 1072-63-5 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00005297 InChI Key: OSSNTDFYBPYIEC-UHFFFAOYSA-N Synonym: 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer PubChem CID: 66171 SMILES: C=CN1C=CN=C1

PubChem CID 66171
CAS 1072-63-5
Molecular Weight (g/mol) 94.12
MDL Number MFCD00005297
SMILES C=CN1C=CN=C1
Synonym 1-vinylimidazole,1-vinyl-1h-imidazole,n-vinylimidazole,1h-imidazole, 1-ethenyl,lufixan,polyvinylimidazole,poly vinylimidazole,poly n-vinylimidazole,poly 1-vinylimidazole,n-vinylimidazole polymer
InChI Key OSSNTDFYBPYIEC-UHFFFAOYSA-N
Molecular Formula C5H6N2
5

1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 68263
CAS 530-62-1
Molecular Weight (g/mol) 162.15
MDL Number MFCD00005286
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula C7H6N4O
6

1-(3-Aminopropyl)imidazole, 98%

CAS: 5036-48-6 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.18 MDL Number: MFCD00009819 InChI Key: KDHWOCLBMVSZPG-UHFFFAOYSA-N Synonym: 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine PubChem CID: 78736 SMILES: NCCCN1C=CN=C1

PubChem CID 78736
CAS 5036-48-6
Molecular Weight (g/mol) 125.18
MDL Number MFCD00009819
SMILES NCCCN1C=CN=C1
Synonym 1-3-aminopropyl imidazole,n-3-aminopropyl imidazole,1h-imidazole-1-propanamine,n-3-aminopropyl-imidazole,3-1h-imidazol-1-yl propan-1-amine,3-imidazol-1-ylpropylamine,3-1h-imidazol-1-yl-1-propanamine,1-3-aminopropyl-imidazole,3-imidazol-1-yl propylamine,3-imidazolylpropylamine
InChI Key KDHWOCLBMVSZPG-UHFFFAOYSA-N
Molecular Formula C6H11N3
7

1-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

PubChem CID 11658353
CAS 143314-17-4
Molecular Weight (g/mol) 170.212
MDL Number MFCD06798186
SMILES CCN1C=C[N+](=C1)C.CC(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;acetate
InChI Key XIYUIMLQTKODPS-UHFFFAOYSA-M
Molecular Formula C8H14N2O2
8

1-Ethyl-3-methylimidazolium bromide, 98+%

CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;bromide SMILES: [Br-].CCN1C=C[N+](C)=C1

PubChem CID 2734235
CAS 65039-08-9
Molecular Weight (g/mol) 191.07
MDL Number MFCD03427610
SMILES [Br-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;bromide
InChI Key GWQYPLXGJIXMMV-UHFFFAOYSA-M
Molecular Formula C6H11BrN2
9

3-Amino-5-phenyl-1,2,4-thiadiazole, 96%

CAS: 27182-54-3 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.225 MDL Number: MFCD00159799 InChI Key: WOZDQVLZCXNJPY-UHFFFAOYSA-N Synonym: 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,# PubChem CID: 554203 IUPAC Name: 5-phenyl-1,2,4-thiadiazol-3-amine SMILES: C1=CC=C(C=C1)C2=NC(=NS2)N

PubChem CID 554203
CAS 27182-54-3
Molecular Weight (g/mol) 177.225
MDL Number MFCD00159799
SMILES C1=CC=C(C=C1)C2=NC(=NS2)N
Synonym 3-amino-5-phenyl-1,2,4-thiadiazole,1,2,4-thiadiazol-3-amine, 5-phenyl,5-phenyl-1,2,4-thiadiazol-3-yl-amine,5-phenyl-1,2,4-thiadiazole-3-amine,#
IUPAC Name 5-phenyl-1,2,4-thiadiazol-3-amine
InChI Key WOZDQVLZCXNJPY-UHFFFAOYSA-N
Molecular Formula C8H7N3S
10

1,2-Dimethylimidazole, 98%

CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C

PubChem CID 15617
CAS 1739-84-0
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005294
SMILES CN1C=CN=C1C
Synonym 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole
IUPAC Name 1,2-dimethylimidazole
InChI Key GIWQSPITLQVMSG-UHFFFAOYSA-N
Molecular Formula C5H8N2
11

2-Phenylbenzoxazole, 99%

CAS: 833-50-1 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00012183 InChI Key: FIISKTXZUZBTRC-UHFFFAOYSA-N Synonym: 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole PubChem CID: 70030 IUPAC Name: 2-phenyl-1,3-benzoxazole SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

PubChem CID 70030
CAS 833-50-1
Molecular Weight (g/mol) 195.221
MDL Number MFCD00012183
SMILES C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
Synonym 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole
IUPAC Name 2-phenyl-1,3-benzoxazole
InChI Key FIISKTXZUZBTRC-UHFFFAOYSA-N
Molecular Formula C13H9NO
12

1H-Pyrazole, 98%

CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1

PubChem CID 1048
CAS 288-13-1
Molecular Weight (g/mol) 68.079
ChEBI CHEBI:17241
MDL Number MFCD00005234
SMILES C1=CNN=C1
Synonym pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1
IUPAC Name 1H-pyrazole
InChI Key WTKZEGDFNFYCGP-UHFFFAOYSA-N
Molecular Formula C3H4N2
13

4,5-Imidazoledicarboxylic acid, 97%

CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O

PubChem CID 68442
CAS 570-22-9
Molecular Weight (g/mol) 156.10
MDL Number MFCD00005200
SMILES OC(=O)C1=C(N=CN1)C(O)=O
Synonym 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid
IUPAC Name 1H-imidazole-4,5-dicarboxylic acid
InChI Key ZEVWQFWTGHFIDH-UHFFFAOYSA-N
Molecular Formula C5H4N2O4
14

1-Methyl-3-n-octylimidazolium chloride, 97%

CAS: 64697-40-1 Molecular Formula: C12H23ClN2 Molecular Weight (g/mol): 230.78 MDL Number: MFCD03095432 InChI Key: OXFBEEDAZHXDHB-UHFFFAOYSA-M Synonym: 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j PubChem CID: 2734223 ChEBI: CHEBI:61342 IUPAC Name: 1-methyl-3-octylimidazol-1-ium;chloride SMILES: [Cl-].CCCCCCCCN1C=C[N+](C)=C1

PubChem CID 2734223
CAS 64697-40-1
Molecular Weight (g/mol) 230.78
ChEBI CHEBI:61342
MDL Number MFCD03095432
SMILES [Cl-].CCCCCCCCN1C=C[N+](C)=C1
Synonym 1-methyl-3-n-octylimidazolium chloride,1-methyl-3-octylimidazolium chloride,1-octyl-3-methylimidazolium chloride,3-methyl-1-octylimidazolium chloride,omimcl,acmc-20aj1j,dsstox_cid_27849,dsstox_rid_82602,dsstox_gsid_47873,ksc491c7j
IUPAC Name 1-methyl-3-octylimidazol-1-ium;chloride
InChI Key OXFBEEDAZHXDHB-UHFFFAOYSA-M
Molecular Formula C12H23ClN2
15

2-Amino-4-(1-naphthyl)thiazole, 97%

CAS: 56503-96-9 Molecular Formula: C13H10N2S Molecular Weight (g/mol): 226.30 MDL Number: MFCD00236016 InChI Key: NBQUWOCIFFHZTM-UHFFFAOYSA-N Synonym: 2-amino-4-1-naphthyl thiazole,4-1-naphthalenyl-2-thiazolamine,4-naphthalen-1-yl-thiazol-2-ylamine,2-thiazolamine, 4-1-naphthalenyl,4-naphthalen-1-yl-1,3-thiazol-2-amine,4-naphthalen-1-yl thiazol-2-amine,4-naphthalen-1-yl-thiazol-2-yl-amine,4-1-naphthyl-1,3-thiazol-2-amine,2-amino-4-alpha-naphthylthiazole,2-amino-4-1-naphthalenyl-1,3-thiazole PubChem CID: 151342 IUPAC Name: 4-naphthalen-1-yl-1,3-thiazol-2-amine SMILES: NC1=NC(=CS1)C1=C2C=CC=CC2=CC=C1

PubChem CID 151342
CAS 56503-96-9
Molecular Weight (g/mol) 226.30
MDL Number MFCD00236016
SMILES NC1=NC(=CS1)C1=C2C=CC=CC2=CC=C1
Synonym 2-amino-4-1-naphthyl thiazole,4-1-naphthalenyl-2-thiazolamine,4-naphthalen-1-yl-thiazol-2-ylamine,2-thiazolamine, 4-1-naphthalenyl,4-naphthalen-1-yl-1,3-thiazol-2-amine,4-naphthalen-1-yl thiazol-2-amine,4-naphthalen-1-yl-thiazol-2-yl-amine,4-1-naphthyl-1,3-thiazol-2-amine,2-amino-4-alpha-naphthylthiazole,2-amino-4-1-naphthalenyl-1,3-thiazole
IUPAC Name 4-naphthalen-1-yl-1,3-thiazol-2-amine
InChI Key NBQUWOCIFFHZTM-UHFFFAOYSA-N
Molecular Formula C13H10N2S