5-methyl-2-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-2-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-2-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1274 |
| Compound Name: | 5-methyl-2-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 323.27 |
| Molecular Formula: | C14 H12 F3 N5 O |
| Smiles: | CC1=CC(n2c(N1)nc(CNc1cccc(c1)C(F)(F)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2846 |
| logD: | -0.1027 |
| logSw: | -3.0486 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.23 |
| InChI Key: | OBYCRMCMDOBVOT-UHFFFAOYSA-N |