N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(2-fluorophenyl)methanimine
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(2-fluorophenyl)methanimine
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(2-fluorophenyl)methanimine
Compound characteristics
Compound ID: | K060-0106 |
Compound Name: | N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]-1-(2-fluorophenyl)methanimine |
Molecular Weight: | 298.32 |
Molecular Formula: | C15 H15 F N6 |
Smiles: | Cc1cc(C)n(c2nnc(C)n2/N=C/c2ccccc2F)n1 |
Stereo: | ACHIRAL |
logP: | 1.6854 |
logD: | 1.6853 |
logSw: | -1.257 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 49.484 |
InChI Key: | QYYHGOXQGSEWMS-UHFFFAOYSA-N |