5-{[benzyl(methyl)amino]methyl}-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-{[benzyl(methyl)amino]methyl}-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-{[benzyl(methyl)amino]methyl}-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D351-0288 |
| Compound Name: | 5-{[benzyl(methyl)amino]methyl}-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 437.97 |
| Molecular Formula: | C24 H27 N5 O |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2NC(CN(C)Cc3ccccc3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8887 |
| logD: | 3.9572 |
| logSw: | -4.5921 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.185 |
| InChI Key: | MRWFFFRGAVPWFZ-UHFFFAOYSA-N |