5-[(4-methylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-methylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-methylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0596 |
| Compound Name: | 5-[(4-methylanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C18 H18 N6 O S |
| Smiles: | Cc1ccc(cc1)NCC1=CC(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0859 |
| logD: | 2.7995 |
| logSw: | -3.354 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.234 |
| InChI Key: | KRGYWNLQBRCPTR-UHFFFAOYSA-N |