4-[3-(diethylamino)propyl]-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[3-(diethylamino)propyl]-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-[3-(diethylamino)propyl]-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8657 |
| Compound Name: | 4-[3-(diethylamino)propyl]-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C15 H25 N7 O2 S |
| Smiles: | CCN(CC)CCCn1c(CCn2c(C)cc(n2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 0.8613 |
| logD: | -1.4555 |
| logSw: | -1.0813 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.376 |
| InChI Key: | UUJSUPBOGFOAPH-UHFFFAOYSA-N |