2-{[(4-chlorophenyl)methyl]amino}-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0038 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-ethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 303.75 |
| Molecular Formula: | C14 H14 Cl N5 O |
| Smiles: | CCC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4617 |
| logD: | 2.1697 |
| logSw: | -3.3362 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.981 |
| InChI Key: | SWTPHFLDGDBYGZ-UHFFFAOYSA-N |