1-[(3-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole
Chemical Structure Depiction of
1-[(3-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole
1-[(3-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y501-9739 |
| Compound Name: | 1-[(3-methylphenyl)methyl]-3-nitro-1H-1,2,4-triazole |
| Molecular Weight: | 218.21 |
| Molecular Formula: | C10 H10 N4 O2 |
| Smiles: | Cc1cccc(Cn2cnc(n2)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2004 |
| logD: | 2.2004 |
| logSw: | -2.235 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.634 |
| InChI Key: | YZGZEYNNRSNAPT-UHFFFAOYSA-N |