4-methyl-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-methyl-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-methyl-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0067 |
| Compound Name: | 4-methyl-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 254.27 |
| Molecular Formula: | C8 H10 N6 O2 S |
| Smiles: | Cn1c(CCn2ccc(n2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | -0.4713 |
| logD: | -0.8957 |
| logSw: | -1.3076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.256 |
| InChI Key: | OBSCUWGXHPIEEX-UHFFFAOYSA-N |