3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-butylpropanamide
Chemical Structure Depiction of
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-butylpropanamide
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-butylpropanamide
Compound characteristics
| Compound ID: | D481-0001 |
| Compound Name: | 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-butylpropanamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C20 H26 N6 O2 |
| Smiles: | CCCCNC(CCC1=C(C)Nc2nc(NCc3ccccc3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1077 |
| logD: | 2.0645 |
| logSw: | -2.7899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.205 |
| InChI Key: | XASVCRWUMAMAGJ-UHFFFAOYSA-N |