6-[(3-chlorophenyl)methyl]-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(3-chlorophenyl)methyl]-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(3-chlorophenyl)methyl]-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 8525-0613 |
| Compound Name: | 6-[(3-chlorophenyl)methyl]-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 316.79 |
| Molecular Formula: | C16 H17 Cl N4 O |
| Smiles: | CCCc1nc2NC(C)=C(Cc3cccc(c3)[Cl])C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.778 |
| logD: | 2.9148 |
| logSw: | -4.1089 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.242 |
| InChI Key: | JXOZOCUTKHGQOR-UHFFFAOYSA-N |