6-butyl-2-{[(4-methoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-butyl-2-{[(4-methoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-butyl-2-{[(4-methoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0135 |
| Compound Name: | 6-butyl-2-{[(4-methoxyphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C18 H23 N5 O2 |
| Smiles: | CCCCC1=C(C)Nc2nc(NCc3ccc(cc3)OC)nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.3946 |
| logD: | 3.3594 |
| logSw: | -3.579 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.436 |
| InChI Key: | JROYHMFCAVNFLF-UHFFFAOYSA-N |