methyl 1-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
methyl 1-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y504-8832 |
| Compound Name: | methyl 1-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 268.29 |
| Molecular Formula: | C9 H12 N6 O2 S |
| Smiles: | Cc1nnc(n1N)SCn1ccc(C(=O)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.7989 |
| logD: | -0.7989 |
| logSw: | -1.545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.15 |
| InChI Key: | HVINESRDECREIL-UHFFFAOYSA-N |