7-(4-fluoro-3-methylanilino)-5-methyl-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
7-(4-fluoro-3-methylanilino)-5-methyl-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
7-(4-fluoro-3-methylanilino)-5-methyl-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7848 |
| Compound Name: | 7-(4-fluoro-3-methylanilino)-5-methyl-2-(prop-2-en-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C16 H16 F N5 O |
| Smiles: | CC1=CC(Nc2ccc(c(C)c2)F)=NC2=NN(CC=C)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8892 |
| logD: | 2.8881 |
| logSw: | -3.1779 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.76 |
| InChI Key: | MLUUROYSMXWPAA-UHFFFAOYSA-N |