2-{[3-(trifluoromethyl)anilino]methyl}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
2-{[3-(trifluoromethyl)anilino]methyl}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-{[3-(trifluoromethyl)anilino]methyl}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D433-1825 |
| Compound Name: | 2-{[3-(trifluoromethyl)anilino]methyl}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 349.31 |
| Molecular Formula: | C16 H14 F3 N5 O |
| Smiles: | C1CC2=C(C1)Nc1nc(CNc3cccc(c3)C(F)(F)F)nn1C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.7251 |
| logD: | 1.6431 |
| logSw: | -3.181 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.433 |
| InChI Key: | IZHWJTKRZWESPZ-UHFFFAOYSA-N |