LEL
Summary
| Name: | 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid |
| Formula: | C8 H6 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.159 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2ccnc(c1nnnc1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C8H6N4O2/c13-8(14)5-1-2-9-6(3-5)7-4-10-12-11-7/h1-4H,(H,13,14)(H,10,11,12) |
| InChIKey | InChI | 1.03 | XGBRXPYFGYDEMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc(c1)c2cn[nH]n2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccnc(c1)c2cn[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnc(cc1C(=O)O)c2cn[nH]n2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnc(cc1C(=O)O)c2cn[nH]n2 |
