5-{[benzyl(2-hydroxyethyl)amino]methyl}-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-{[benzyl(2-hydroxyethyl)amino]methyl}-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-{[benzyl(2-hydroxyethyl)amino]methyl}-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D351-0455 |
| Compound Name: | 5-{[benzyl(2-hydroxyethyl)amino]methyl}-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 425.92 |
| Molecular Formula: | C22 H23 N5 O2 |
| Salt: | HCl |
| Smiles: | Cc1cccc(c1)c1nc2NC(CN(CCO)Cc3ccccc3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.004 |
| logD: | 2.0724 |
| logSw: | -3.2684 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.686 |
| InChI Key: | BIJYOUWORADBPN-UHFFFAOYSA-N |