N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitrophenyl)methanimine
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitrophenyl)methanimine
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitrophenyl)methanimine
Compound characteristics
| Compound ID: | Y508-6441 |
| Compound Name: | N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitrophenyl)methanimine |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C16 H17 N7 O3 |
| Smiles: | Cc1cc(C)n(c2nnc(C)n2/N=C/c2ccc(c(c2)[N+]([O-])=O)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.9367 |
| logD: | 0.9367 |
| logSw: | -1.8204 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.195 |
| InChI Key: | DZHBAFGVPWLQBL-UHFFFAOYSA-N |