5-[(2,4-dimethylanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,4-dimethylanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,4-dimethylanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0039 |
| Compound Name: | 5-[(2,4-dimethylanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C20 H19 N5 O |
| Smiles: | Cc1ccc(c(C)c1)NCC1=CC(n2c(N1)nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9452 |
| logD: | 3.7415 |
| logSw: | -3.9436 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.877 |
| InChI Key: | VAHBUGQVMUDLSJ-UHFFFAOYSA-N |