Azoles
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Methyl 1,2,4-Triazole-3-carboxylate 98.0+%, TCI America™
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CAS: 4928-88-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00135989 InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N PubChem CID: 2735089 IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate SMILES: COC(=O)C1=NC=NN1
| PubChem CID | 2735089 |
|---|---|
| CAS | 4928-88-5 |
| Molecular Weight (g/mol) | 127.103 |
| MDL Number | MFCD00135989 |
| SMILES | COC(=O)C1=NC=NN1 |
| IUPAC Name | methyl 1H-1,2,4-triazole-5-carboxylate |
| InChI Key | QMPFMODFBNEYJH-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O2 |
Prochloraz 98.0+%, TCI America™
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CAS: 67747-09-5 Molecular Formula: C15H16Cl3N3O2 Molecular Weight (g/mol): 376.662 MDL Number: MFCD00078735 InChI Key: TVLSRXXIMLFWEO-UHFFFAOYSA-N Synonym: prochloraz,mirage,octave,prelude,ascurit,sporgon,sportak,mirage pesticide,dibavit,sprint PubChem CID: 73665 ChEBI: CHEBI:8434 IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide SMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2
| PubChem CID | 73665 |
|---|---|
| CAS | 67747-09-5 |
| Molecular Weight (g/mol) | 376.662 |
| ChEBI | CHEBI:8434 |
| MDL Number | MFCD00078735 |
| SMILES | CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2 |
| Synonym | prochloraz,mirage,octave,prelude,ascurit,sporgon,sportak,mirage pesticide,dibavit,sprint |
| IUPAC Name | N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide |
| InChI Key | TVLSRXXIMLFWEO-UHFFFAOYSA-N |
| Molecular Formula | C15H16Cl3N3O2 |
Methyl 2-Bromothiazole-4-carboxylate 98.0+%, TCI America™
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CAS: 170235-26-4 Molecular Formula: C5H4BrNO2S Molecular Weight (g/mol): 222.056 MDL Number: MFCD06659908 InChI Key: YOWKNNKTQWCYNC-UHFFFAOYSA-N PubChem CID: 2763213 IUPAC Name: methyl 2-bromo-1,3-thiazole-4-carboxylate SMILES: COC(=O)C1=CSC(=N1)Br
| PubChem CID | 2763213 |
|---|---|
| CAS | 170235-26-4 |
| Molecular Weight (g/mol) | 222.056 |
| MDL Number | MFCD06659908 |
| SMILES | COC(=O)C1=CSC(=N1)Br |
| IUPAC Name | methyl 2-bromo-1,3-thiazole-4-carboxylate |
| InChI Key | YOWKNNKTQWCYNC-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO2S |
1,2-Dimethyl-5-nitroimidazole 97.0+%, TCI America™
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CAS: 551-92-8 Molecular Formula: C5H7N3O2 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00047046 InChI Key: IBXPYPUJPLLOIN-UHFFFAOYSA-N Synonym: dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo PubChem CID: 3090 IUPAC Name: 1,2-dimethyl-5-nitro-1H-imidazole SMILES: CN1C(C)=NC=C1[N+]([O-])=O
| PubChem CID | 3090 |
|---|---|
| CAS | 551-92-8 |
| Molecular Weight (g/mol) | 141.13 |
| MDL Number | MFCD00047046 |
| SMILES | CN1C(C)=NC=C1[N+]([O-])=O |
| Synonym | dimetridazole,1,2-dimethyl-5-nitro-1h-imidazole,dimetridazol,emtrylvet,emtrymix,emtryl,unizole soluble,1h-imidazole, 1,2-dimethyl-5-nitro,5-nitro-1,2-dimethylimidazole,dimetridazolo |
| IUPAC Name | 1,2-dimethyl-5-nitro-1H-imidazole |
| InChI Key | IBXPYPUJPLLOIN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O2 |
2-Methyl-5-nitroimidazole-1-ethanol 99.0+%, TCI America™
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CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]
| PubChem CID | 4173 |
|---|---|
| CAS | 443-48-1 |
| Molecular Weight (g/mol) | 171.156 |
| ChEBI | CHEBI:6909 |
| MDL Number | MFCD00009750 |
| SMILES | CC1=NC=C(N1CCO)[N+](=O)[O-] |
| Synonym | metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol |
| IUPAC Name | 2-(2-methyl-5-nitroimidazol-1-yl)ethanol |
| InChI Key | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O3 |
1-Ethyl-3-methylimidazolium Trifluoroacetate 97.0+%, TCI America™
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CAS: 174899-65-1 Molecular Formula: C8H11F3N2O2 Molecular Weight (g/mol): 224.18 MDL Number: MFCD08458492 InChI Key: JOKVYNJKBRLDAT-UHFFFAOYSA-M PubChem CID: 9815936 IUPAC Name: 1-ethyl-3-methyl-1H-imidazol-3-ium trifluoroacetate SMILES: [O-]C(=O)C(F)(F)F.CCN1C=C[N+](C)=C1
| PubChem CID | 9815936 |
|---|---|
| CAS | 174899-65-1 |
| Molecular Weight (g/mol) | 224.18 |
| MDL Number | MFCD08458492 |
| SMILES | [O-]C(=O)C(F)(F)F.CCN1C=C[N+](C)=C1 |
| IUPAC Name | 1-ethyl-3-methyl-1H-imidazol-3-ium trifluoroacetate |
| InChI Key | JOKVYNJKBRLDAT-UHFFFAOYSA-M |
| Molecular Formula | C8H11F3N2O2 |
1,5-Dimethyl-3-(trifluoromethyl)pyrazole 98.0+%, TCI America™
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CAS: 79080-31-2 Molecular Formula: C6H7F3N2 Molecular Weight (g/mol): 164.131 MDL Number: MFCD04972844 InChI Key: LGTRXZPAYGKNLP-UHFFFAOYSA-N PubChem CID: 12747525 IUPAC Name: 1,5-dimethyl-3-(trifluoromethyl)pyrazole SMILES: CC1=CC(=NN1C)C(F)(F)F
| PubChem CID | 12747525 |
|---|---|
| CAS | 79080-31-2 |
| Molecular Weight (g/mol) | 164.131 |
| MDL Number | MFCD04972844 |
| SMILES | CC1=CC(=NN1C)C(F)(F)F |
| IUPAC Name | 1,5-dimethyl-3-(trifluoromethyl)pyrazole |
| InChI Key | LGTRXZPAYGKNLP-UHFFFAOYSA-N |
| Molecular Formula | C6H7F3N2 |
1-Decyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
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CAS: 433337-23-6 Molecular Formula: C16H27F6N3O4S2 Molecular Weight (g/mol): 503.519 MDL Number: MFCD12022376 InChI Key: ZYVGZWFCGPUVSH-UHFFFAOYSA-N PubChem CID: 12040509 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium SMILES: CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 12040509 |
|---|---|
| CAS | 433337-23-6 |
| Molecular Weight (g/mol) | 503.519 |
| MDL Number | MFCD12022376 |
| SMILES | CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium |
| InChI Key | ZYVGZWFCGPUVSH-UHFFFAOYSA-N |
| Molecular Formula | C16H27F6N3O4S2 |
5-Amino-1-(2-hydroxyethyl)pyrazole 99.0+%, TCI America™
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CAS: 73616-27-0 Molecular Formula: C5H9N3O Molecular Weight (g/mol): 127.147 MDL Number: MFCD08063809 InChI Key: IHQRJCVJAUKIEP-UHFFFAOYSA-N Synonym: 5-amino-1-2-hydroxyethyl pyrazole,2-5-aminopyrazol-1-yl ethanol,5-amino-1-,a-hydroxyethyl pyrazole,2-5-amino-1h-pyrazol-1-yl ethanol,1h-pyrazole-1-ethanol, 5-amino,2-5-amino-1h-pyrazol-1-yl ethan-1-ol,pubchem15051,ksc496i9l,2-5-amino-1-pyrazolyl ethanol PubChem CID: 320281 IUPAC Name: 2-(5-aminopyrazol-1-yl)ethanol SMILES: C1=C(N(N=C1)CCO)N
| PubChem CID | 320281 |
|---|---|
| CAS | 73616-27-0 |
| Molecular Weight (g/mol) | 127.147 |
| MDL Number | MFCD08063809 |
| SMILES | C1=C(N(N=C1)CCO)N |
| Synonym | 5-amino-1-2-hydroxyethyl pyrazole,2-5-aminopyrazol-1-yl ethanol,5-amino-1-,a-hydroxyethyl pyrazole,2-5-amino-1h-pyrazol-1-yl ethanol,1h-pyrazole-1-ethanol, 5-amino,2-5-amino-1h-pyrazol-1-yl ethan-1-ol,pubchem15051,ksc496i9l,2-5-amino-1-pyrazolyl ethanol |
| IUPAC Name | 2-(5-aminopyrazol-1-yl)ethanol |
| InChI Key | IHQRJCVJAUKIEP-UHFFFAOYSA-N |
| Molecular Formula | C5H9N3O |
2-Aminoimidazole Sulfate 98.0+%, TCI America™
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CAS: 1450-93-7 Molecular Formula: C6H12N6O4S Molecular Weight (g/mol): 264.26 MDL Number: MFCD00013162 InChI Key: KUWRLKJYNASPQZ-UHFFFAOYSA-N Synonym: 2-aminoimidazole hemisulfate,1h-imidazol-2-amine sulfate 2:1,bis 1h-imidazol-2-amine ; sulfuric acid,2-aminoimidazole sulphate,bis 2-aminoimidazole sulfate,1h-imidazol-2-amine sulfurate,2-aminoimidazole sulfate 2:1,1h-imidazol-2-amine, sulfate 2:1,pubchem8378,aminoimidazole hemisulfate PubChem CID: 2734684 IUPAC Name: bis(1H-imidazol-2-amine); sulfuric acid SMILES: OS(O)(=O)=O.NC1=NC=CN1.NC1=NC=CN1
| PubChem CID | 2734684 |
|---|---|
| CAS | 1450-93-7 |
| Molecular Weight (g/mol) | 264.26 |
| MDL Number | MFCD00013162 |
| SMILES | OS(O)(=O)=O.NC1=NC=CN1.NC1=NC=CN1 |
| Synonym | 2-aminoimidazole hemisulfate,1h-imidazol-2-amine sulfate 2:1,bis 1h-imidazol-2-amine ; sulfuric acid,2-aminoimidazole sulphate,bis 2-aminoimidazole sulfate,1h-imidazol-2-amine sulfurate,2-aminoimidazole sulfate 2:1,1h-imidazol-2-amine, sulfate 2:1,pubchem8378,aminoimidazole hemisulfate |
| IUPAC Name | bis(1H-imidazol-2-amine); sulfuric acid |
| InChI Key | KUWRLKJYNASPQZ-UHFFFAOYSA-N |
| Molecular Formula | C6H12N6O4S |
NBD-CO-Hz 95.0+%, TCI America™
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CAS: 221263-97-4 Molecular Formula: C9H10N6O4 Molecular Weight (g/mol): 266.217 MDL Number: MFCD02093433 InChI Key: IDJGYEQXPMQJKF-UHFFFAOYSA-N Synonym: 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitrobenzofurazan, 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 3428975 IUPAC Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetohydrazide SMILES: CN(CC(=O)NN)C1=CC=C(C2=NON=C12)[N+](=O)[O-]
| PubChem CID | 3428975 |
|---|---|
| CAS | 221263-97-4 |
| Molecular Weight (g/mol) | 266.217 |
| MDL Number | MFCD02093433 |
| SMILES | CN(CC(=O)NN)C1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| Synonym | 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitrobenzofurazan, 4-(N-Hydrazinocarbonylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole |
| IUPAC Name | 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetohydrazide |
| InChI Key | IDJGYEQXPMQJKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10N6O4 |
2,5-Bis(4-aminophenyl)-1,3,4-oxadiazole 98.0+%, TCI America™
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CAS: 2425-95-8 Molecular Formula: C14H12N4O Molecular Weight (g/mol): 252.277 MDL Number: MFCD00042667 InChI Key: MJZXFMSIHMJQBW-UHFFFAOYSA-N Synonym: BAO PubChem CID: 75505 IUPAC Name: 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline SMILES: C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)N)N
| PubChem CID | 75505 |
|---|---|
| CAS | 2425-95-8 |
| Molecular Weight (g/mol) | 252.277 |
| MDL Number | MFCD00042667 |
| SMILES | C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)N)N |
| Synonym | BAO |
| IUPAC Name | 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline |
| InChI Key | MJZXFMSIHMJQBW-UHFFFAOYSA-N |
| Molecular Formula | C14H12N4O |
4,4'-Dinonyl-2,2'-bithiazole 98.0+%, TCI America™
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CAS: 180729-91-3 Molecular Formula: C24H40N2S2 Molecular Weight (g/mol): 420.72 MDL Number: MFCD27923057 InChI Key: FNAZWICXOXNWDC-UHFFFAOYSA-N PubChem CID: 19437291 IUPAC Name: 4-nonyl-2-(4-nonyl-1,3-thiazol-2-yl)-1,3-thiazole SMILES: CCCCCCCCCC1=CSC(=N1)C1=NC(CCCCCCCCC)=CS1
| PubChem CID | 19437291 |
|---|---|
| CAS | 180729-91-3 |
| Molecular Weight (g/mol) | 420.72 |
| MDL Number | MFCD27923057 |
| SMILES | CCCCCCCCCC1=CSC(=N1)C1=NC(CCCCCCCCC)=CS1 |
| IUPAC Name | 4-nonyl-2-(4-nonyl-1,3-thiazol-2-yl)-1,3-thiazole |
| InChI Key | FNAZWICXOXNWDC-UHFFFAOYSA-N |
| Molecular Formula | C24H40N2S2 |
1-(2-Cyanoethyl)-2-undecylimidazole 98.0+%, TCI America™
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CAS: 23996-16-9 Molecular Formula: C17H29N3 Molecular Weight (g/mol): 275.44 InChI Key: SZUPZARBRLCVCB-UHFFFAOYSA-N Synonym: 3-(2-Undecyl-1-imidazolyl)propionitrile PubChem CID: 90326 IUPAC Name: 3-(2-undecylimidazol-1-yl)propanenitrile SMILES: CCCCCCCCCCCC1=NC=CN1CCC#N
| PubChem CID | 90326 |
|---|---|
| CAS | 23996-16-9 |
| Molecular Weight (g/mol) | 275.44 |
| SMILES | CCCCCCCCCCCC1=NC=CN1CCC#N |
| Synonym | 3-(2-Undecyl-1-imidazolyl)propionitrile |
| IUPAC Name | 3-(2-undecylimidazol-1-yl)propanenitrile |
| InChI Key | SZUPZARBRLCVCB-UHFFFAOYSA-N |
| Molecular Formula | C17H29N3 |
Allopurinol 98.0+%, TCI America™
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