3-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
3-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-1,2,4-triazin-5(4H)-one
3-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0167 |
| Compound Name: | 3-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 304.66 |
| Molecular Formula: | C11 H8 Cl F3 N4 O |
| Smiles: | CC1C(NC(Nc2ccc(c(c2)C(F)(F)F)[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4502 |
| logD: | 2.7244 |
| logSw: | -3.9449 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.297 |
| InChI Key: | ACBHPVWYFIEBTN-UHFFFAOYSA-N |