1-{[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-{[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitro-1H-1,2,4-triazole
1-{[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8014-1682 |
| Compound Name: | 1-{[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 269.28 |
| Molecular Formula: | C8 H11 N7 O2 S |
| Smiles: | CCn1c(Cn2cnc(n2)[N+]([O-])=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 0.4146 |
| logD: | 0.4098 |
| logSw: | -1.4841 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.881 |
| InChI Key: | QIWRVHVNXLOACE-UHFFFAOYSA-N |