2-{[(4-chlorophenyl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0037 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 343.69 |
| Molecular Formula: | C13 H9 Cl F3 N5 O |
| Smiles: | C(c1ccc(cc1)[Cl])Nc1nc2NC(=CC(n2n1)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.6495 |
| logD: | -1.2988 |
| logSw: | -3.5338 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.875 |
| InChI Key: | XWCQEQQXGJDDTR-UHFFFAOYSA-N |