| Catalog Number | ACM1247628405 |
| CAS | 1247628-40-5 |
| IUPAC Name | 2-(3-cyano-1,2,4-triazol-1-yl)acetic acid |
| Synonyms | 1247628-40-5;(3-Cyano-[1,2,4]triazol-1-yl)-acetic acid;2-(3-cyano-1H-1,2,4-triazol-1-yl)acetic acid;3-Cyano-1H-1,2,4-triazole-1-acetic Acid;SCHEMBL18762383;ZINC60060375;AKOS009112952;MCULE-6271585768;NE32380;SB32178;2-(3-cyano-1,2,4-triazol-1-yl)acetic acid;Z228466924 |
| Molecular Weight | 152.11g/mol |
| Molecular Formula | C5H4N4O2 |
| Canonical SMILES | C1=NC(=NN1CC(=O)O)C#N |
| InChI | InChI=1S/C5H4N4O2/c6-1-4-7-3-9(8-4)2-5(10)11/h3H,2H2,(H,10,11) |
| InChI Key | FFPPDHULQMPMJG-UHFFFAOYSA-N |
| Complexity | 208 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 152.03342538g/mol |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Monoisotopic Mass | 152.03342538g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.8Ų |
| X Log P3 | -0.2 |