4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8798 |
| Compound Name: | 4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 268.29 |
| Molecular Formula: | C9 H12 N6 O2 S |
| Smiles: | CCn1c(CCn2cc(cn2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 0.3376 |
| logD: | 0.1295 |
| logSw: | -0.6534 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.824 |
| InChI Key: | ZOAKVMZRQCJSJK-UHFFFAOYSA-N |