4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5179 |
| Compound Name: | 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C13 H16 N8 O2 S |
| Smiles: | CCn1c(C)c(cn1)n1c(Cn2c(C)cc(n2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | -0.2291 |
| logD: | -1.7855 |
| logSw: | -0.9785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.104 |
| InChI Key: | DDELEPRUNCSMMB-UHFFFAOYSA-N |