4-methyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-methyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
4-methyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5881 |
| Compound Name: | 4-methyl-3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 240.24 |
| Molecular Formula: | C7 H8 N6 O2 S |
| Smiles: | Cn1cnnc1SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.0307 |
| logD: | 0.0306 |
| logSw: | -1.1357 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.019 |
| InChI Key: | HJHQTMRRZRGYPZ-UHFFFAOYSA-N |