5-methyl-2-{[(4-methylphenyl)methyl]amino}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-2-{[(4-methylphenyl)methyl]amino}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-2-{[(4-methylphenyl)methyl]amino}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0109 |
| Compound Name: | 5-methyl-2-{[(4-methylphenyl)methyl]amino}-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | CC1CCN(CC1)C(CCC1=C(C)Nc2nc(NCc3ccc(C)cc3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8005 |
| logD: | 2.7573 |
| logSw: | -3.3173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.013 |
| InChI Key: | NMTDTHKHZRSNBU-UHFFFAOYSA-N |