1-[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
1-[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | D116-0259 |
| Compound Name: | 1-[5-(benzylamino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]butan-1-one |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C18 H19 N5 O |
| Smiles: | CCCC(n1c(NCc2ccccc2)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6461 |
| logD: | 2.4967 |
| logSw: | -2.5679 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.489 |
| InChI Key: | WBIKFLYXZQQTKG-UHFFFAOYSA-N |