2-{[(3-chlorophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3-chlorophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0075 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 303.75 |
| Molecular Formula: | C14 H14 Cl N5 O |
| Smiles: | CC1=C(C)Nc2nc(NCc3cccc(c3)[Cl])nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.526 |
| logD: | 2.4338 |
| logSw: | -3.4703 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.892 |
| InChI Key: | WPOSFOAUJQPNGM-UHFFFAOYSA-N |