5-[(benzylamino)methyl]-2-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(benzylamino)methyl]-2-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(benzylamino)methyl]-2-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0182 |
| Compound Name: | 5-[(benzylamino)methyl]-2-{[(2-chlorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 394.86 |
| Molecular Formula: | C20 H19 Cl N6 O |
| Smiles: | C(C1=CC(n2c(N1)nc(NCc1ccccc1[Cl])n2)=O)NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8893 |
| logD: | 2.8893 |
| logSw: | -3.5042 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.747 |
| InChI Key: | ROHNLEAOSAUNBY-UHFFFAOYSA-N |