5-[(3,4-dimethylanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3,4-dimethylanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3,4-dimethylanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0044 |
| Compound Name: | 5-[(3,4-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(cc1C)NCC1=CC(n2c(N1)nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0248 |
| logD: | 3.8211 |
| logSw: | -4.1551 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.575 |
| InChI Key: | HUDQMZXASCUWGD-UHFFFAOYSA-N |