3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Chemical Structure Depiction of
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Compound characteristics
| Compound ID: | Y503-2663 |
| Compound Name: | 3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine |
| Molecular Weight: | 283.31 |
| Molecular Formula: | C9 H13 N7 O2 S |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2N)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.338 |
| logD: | -0.3381 |
| logSw: | -0.8236 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.649 |
| InChI Key: | GJGYWVAZJJORBE-UHFFFAOYSA-N |