1-[(2-methoxy-5-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-[(2-methoxy-5-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole
1-[(2-methoxy-5-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8013-0124 |
| Compound Name: | 1-[(2-methoxy-5-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 248.24 |
| Molecular Formula: | C11 H12 N4 O3 |
| Smiles: | Cc1ccc(c(Cn2cnc(n2)[N+]([O-])=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9856 |
| logD: | 1.9856 |
| logSw: | -2.2323 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.265 |
| InChI Key: | VIRQRAPQBMCEKV-UHFFFAOYSA-N |