4-cyclopropyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-cyclopropyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-cyclopropyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-3952 |
| Compound Name: | 4-cyclopropyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 308.36 |
| Molecular Formula: | C12 H16 N6 O2 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2C2CC2)S)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7157 |
| logD: | 0.6268 |
| logSw: | -0.7499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.909 |
| InChI Key: | ADDBUHZNKWUESS-UHFFFAOYSA-N |