2-[(3,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(3,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
2-[(3,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D433-1283 |
| Compound Name: | 2-[(3,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 319.79 |
| Molecular Formula: | C15 H17 N5 O |
| Salt: | HCl |
| Smiles: | CC1=CC(n2c(N1)nc(CNc1ccc(C)c(C)c1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2287 |
| logD: | -0.1585 |
| logSw: | -2.8553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.23 |
| InChI Key: | DXDVQMQJIRLLRD-UHFFFAOYSA-N |