A1CPO
Summary
| Name: | N-(3-fluoro-4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Formula: | C10 H9 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.202 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(3-fluoro-4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(3-fluoranyl-4-methoxy-phenyl)-1~{H}-1,2,3-triazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccc(OC)c(F)c1)c1c[NH]nn1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9FN4O2/c1-17-9-3-2-6(4-7(9)11)13-10(16)8-5-12-15-14-8/h2-5H,1H3,(H,13,16)(H,12,14,15) |
| InChIKey | InChI | 1.06 | QDIWVPOPGRTLEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)c2c[nH]nn2)cc1F |
| SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)c2c[nH]nn2)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1F)NC(=O)c2c[nH]nn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1F)NC(=O)c2c[nH]nn2 |
