5-[(butylamino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[(butylamino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-[(butylamino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D351-0001 |
| Compound Name: | 5-[(butylamino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 333.82 |
| Molecular Formula: | C16 H19 N5 O |
| Salt: | HCl |
| Smiles: | CCCCNCC1=CC(n2c(N1)nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2348 |
| logD: | 0.3973 |
| logSw: | -2.8978 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.219 |
| InChI Key: | RBOKKZQMPVLDKZ-UHFFFAOYSA-N |