1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1H-1,2,4-triazole
1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8016-5079 |
| Compound Name: | 1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 241.23 |
| Molecular Formula: | C6 H7 N7 O2 S |
| Smiles: | Cn1cnnc1Sc1nc(nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.1195 |
| logD: | -0.1195 |
| logSw: | -1.0628 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.966 |
| InChI Key: | YLJWWMWFYYJRNS-UHFFFAOYSA-N |