methyl 2-(5-amino-1H-1,2,4-triazol-3-yl)benzoate
Chemical Structure Depiction of
methyl 2-(5-amino-1H-1,2,4-triazol-3-yl)benzoate
methyl 2-(5-amino-1H-1,2,4-triazol-3-yl)benzoate
Compound characteristics
| Compound ID: | 8020-6035 |
| Compound Name: | methyl 2-(5-amino-1H-1,2,4-triazol-3-yl)benzoate |
| Molecular Weight: | 218.21 |
| Molecular Formula: | C10 H10 N4 O2 |
| Smiles: | COC(c1ccccc1c1nc(N)[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8212 |
| logD: | 0.8181 |
| logSw: | -1.9635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.663 |
| InChI Key: | RHOMNMHZUGXBID-UHFFFAOYSA-N |