7-(3,5-dimethylanilino)-5-methyl-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
7-(3,5-dimethylanilino)-5-methyl-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
7-(3,5-dimethylanilino)-5-methyl-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7772 |
| Compound Name: | 7-(3,5-dimethylanilino)-5-methyl-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 309.37 |
| Molecular Formula: | C17 H19 N5 O |
| Smiles: | CC1=CC(Nc2cc(C)cc(C)c2)=NC2=NN(CC=C)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1243 |
| logD: | 3.1242 |
| logSw: | -3.1264 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.76 |
| InChI Key: | RCNIVWVHWWDFBN-UHFFFAOYSA-N |