2-(3-amino-1H-1,2,4-triazol-5-yl)benzoic acid
Chemical Structure Depiction of
2-(3-amino-1H-1,2,4-triazol-5-yl)benzoic acid
2-(3-amino-1H-1,2,4-triazol-5-yl)benzoic acid
Compound characteristics
| Compound ID: | 8020-6003 |
| Compound Name: | 2-(3-amino-1H-1,2,4-triazol-5-yl)benzoic acid |
| Molecular Weight: | 204.18 |
| Molecular Formula: | C9 H8 N4 O2 |
| Smiles: | c1ccc(c(c1)C(O)=O)c1nc(N)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.6468 |
| logD: | -3.9712 |
| logSw: | -1.9553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 82.898 |
| InChI Key: | GSWHDMVMXOOKEU-UHFFFAOYSA-N |