2-{[(3-chlorophenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3-chlorophenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0090 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 317.78 |
| Molecular Formula: | C15 H16 Cl N5 O |
| Smiles: | CC(C)C1=CC(n2c(N1)nc(NCc1cccc(c1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0064 |
| logD: | 2.5728 |
| logSw: | -3.61 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.875 |
| InChI Key: | FBBUJNKESYQVRF-UHFFFAOYSA-N |