2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0078 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 321.74 |
| Molecular Formula: | C14 H13 Cl F N5 O |
| Smiles: | CCC1=CC(n2c(N1)nc(NCc1c(cccc1[Cl])F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7656 |
| logD: | 2.4735 |
| logSw: | -3.548 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.981 |
| InChI Key: | FIJVCDIMOFHLJE-UHFFFAOYSA-N |