2-{[(3,4-dimethoxyphenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0079 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 329.36 |
| Molecular Formula: | C16 H19 N5 O3 |
| Smiles: | CC1=C(C)Nc2nc(NCc3ccc(c(c3)OC)OC)nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.4435 |
| logD: | 1.3513 |
| logSw: | -2.0833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.153 |
| InChI Key: | TVMPILZTJJCZRC-UHFFFAOYSA-N |