2-{[(4-chlorophenyl)methyl]amino}-5-[(propylamino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-[(propylamino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-[(propylamino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0052 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-[(propylamino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 346.82 |
| Molecular Formula: | C16 H19 Cl N6 O |
| Smiles: | CCCNCC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1565 |
| logD: | 0.2725 |
| logSw: | -3.0816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.86 |
| InChI Key: | KOWXWDSCPUFULT-UHFFFAOYSA-N |