5-methyl-7-(2-methylanilino)-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
5-methyl-7-(2-methylanilino)-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
5-methyl-7-(2-methylanilino)-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7652 |
| Compound Name: | 5-methyl-7-(2-methylanilino)-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 295.34 |
| Molecular Formula: | C16 H17 N5 O |
| Smiles: | CC1=CC(Nc2ccccc2C)=NC2=NN(CC=C)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4856 |
| logD: | 2.4855 |
| logSw: | -2.6793 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.062 |
| InChI Key: | KMEQTFAGHHJTPZ-UHFFFAOYSA-N |