4-methyl-3-(3-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-methyl-3-(3-nitrophenyl)-4H-1,2,4-triazole
4-methyl-3-(3-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8011-5214 |
| Compound Name: | 4-methyl-3-(3-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 204.18 |
| Molecular Formula: | C9 H8 N4 O2 |
| Smiles: | Cn1cnnc1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3758 |
| logD: | 1.3758 |
| logSw: | -1.8071 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.532 |
| InChI Key: | QXWWRCQULISQCV-UHFFFAOYSA-N |