2-(benzylamino)-5-[(2,4-dimethylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(benzylamino)-5-[(2,4-dimethylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(benzylamino)-5-[(2,4-dimethylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0036 |
| Compound Name: | 2-(benzylamino)-5-[(2,4-dimethylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C21 H22 N6 O |
| Smiles: | Cc1ccc(c(C)c1)NCC1=CC(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4678 |
| logD: | 3.1813 |
| logSw: | -3.6662 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.518 |
| InChI Key: | WQUQOSSFZLWWPS-UHFFFAOYSA-N |