4-butyl-5-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-butyl-5-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-butyl-5-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8172 |
| Compound Name: | 4-butyl-5-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 265.38 |
| Molecular Formula: | C12 H19 N5 S |
| Smiles: | CCCCn1c(CCn2ccc(C)n2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.3394 |
| logD: | 1.1302 |
| logSw: | -0.7747 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.386 |
| InChI Key: | XDAXSCAHWQQAFY-UHFFFAOYSA-N |