N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine
Compound characteristics
| Compound ID: | 8012-1365 |
| Compound Name: | N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine |
| Molecular Weight: | 311.3 |
| Molecular Formula: | C14 H13 N7 O2 |
| Smiles: | Cc1cc(C)n(c2nncn2/N=C/c2cccc(c2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.1934 |
| logD: | 1.1934 |
| logSw: | -1.8703 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.126 |
| InChI Key: | GQQRXTCRVDZPMQ-UHFFFAOYSA-N |