6-chloro-2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-chloro-2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-chloro-2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0625 |
| Compound Name: | 6-chloro-2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 325.7 |
| Molecular Formula: | C13 H10 Cl F2 N5 O |
| Smiles: | CC1=C(C(n2c(N1)nc(NCc1cc(cc(c1)F)F)n2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7436 |
| logD: | 1.1185 |
| logSw: | -3.5297 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.892 |
| InChI Key: | KMVPXKUKJKSZLJ-UHFFFAOYSA-N |