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 |