3-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
3-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y202-8127 |
| Compound Name: | 3-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-propyl-4H-1,2,4-triazole |
| Molecular Weight: | 282.32 |
| Molecular Formula: | C10 H14 N6 O2 S |
| Smiles: | CCCn1c(C)nnc1SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0854 |
| logD: | 1.0853 |
| logSw: | -1.5066 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.555 |
| InChI Key: | KJQKHBILMOUWHM-UHFFFAOYSA-N |