6-[(3-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(3-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(3-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 8561-08413 |
| Compound Name: | 6-[(3-chlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 342.71 |
| Molecular Formula: | C14 H10 Cl F3 N4 O |
| Smiles: | CC1=C(Cc2cccc(c2)[Cl])C(n2c(N1)nc(C(F)(F)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5543 |
| logD: | 0.1472 |
| logSw: | -3.8618 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.251 |
| InChI Key: | IPTMGHQYJVNYIL-UHFFFAOYSA-N |