4-[(3-amino-1H-1,2,4-triazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(3-amino-1H-1,2,4-triazol-1-yl)methyl]benzoic acid
4-[(3-amino-1H-1,2,4-triazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y507-0221 |
| Compound Name: | 4-[(3-amino-1H-1,2,4-triazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 218.21 |
| Molecular Formula: | C10 H10 N4 O2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)n1cnc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.8942 |
| logD: | -2.0773 |
| logSw: | -1.5231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.2 |
| InChI Key: | ARSPWZRRUBFIIX-UHFFFAOYSA-N |