7-(3,5-dimethylanilino)-2-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
7-(3,5-dimethylanilino)-2-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
7-(3,5-dimethylanilino)-2-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7767 |
| Compound Name: | 7-(3,5-dimethylanilino)-2-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 297.36 |
| Molecular Formula: | C16 H19 N5 O |
| Smiles: | CCN1C(N2C(C)=CC(Nc3cc(C)cc(C)c3)=NC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9435 |
| logD: | 2.9434 |
| logSw: | -3.0414 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.506 |
| InChI Key: | YHXCFAPLCJYOIH-UHFFFAOYSA-N |