N-{[7-(azepan-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-N-methylbutan-1-amine
Chemical Structure Depiction of
N-{[7-(azepan-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-N-methylbutan-1-amine
N-{[7-(azepan-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-N-methylbutan-1-amine
Compound characteristics
| Compound ID: | P659-2579 |
| Compound Name: | N-{[7-(azepan-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-N-methylbutan-1-amine |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C18 H30 N6 |
| Smiles: | CCCCN(C)Cc1nc2nc(C)cc(N3CCCCCC3)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3444 |
| logD: | 2.7198 |
| logSw: | -3.2792 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.804 |
| InChI Key: | XBQOAZYGZJLEOG-UHFFFAOYSA-N |