2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0077 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 321.74 |
| Molecular Formula: | C14 H13 Cl F N5 O |
| Smiles: | CC1=C(C)Nc2nc(NCc3c(cccc3[Cl])F)nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7273 |
| logD: | 2.6351 |
| logSw: | -3.5015 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.892 |
| InChI Key: | IEJHOFNZTCYLKG-UHFFFAOYSA-N |