5-methyl-7-(4-methylanilino)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
5-methyl-7-(4-methylanilino)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
5-methyl-7-(4-methylanilino)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7565 |
| Compound Name: | 5-methyl-7-(4-methylanilino)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 359.43 |
| Molecular Formula: | C21 H21 N5 O |
| Smiles: | CC1=CC(Nc2ccc(C)cc2)=NC2=NN(CCc3ccccc3)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0602 |
| logD: | 4.0596 |
| logSw: | -4.1454 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.488 |
| InChI Key: | LLQVAWMSNNCXRW-UHFFFAOYSA-N |