2-butyl-5-(pyridin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4,3-c]quinazolin-3(2H)-one
Chemical Structure Depiction of
2-butyl-5-(pyridin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4,3-c]quinazolin-3(2H)-one
2-butyl-5-(pyridin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4,3-c]quinazolin-3(2H)-one
Compound characteristics
| Compound ID: | M499-9157 |
| Compound Name: | 2-butyl-5-(pyridin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4,3-c]quinazolin-3(2H)-one |
| Molecular Weight: | 323.4 |
| Molecular Formula: | C18 H21 N5 O |
| Smiles: | CCCCN1C(N2C(c3ccncc3)=NC3CCCCC=3C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6366 |
| logD: | -0.0946 |
| logSw: | -2.3341 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.538 |
| InChI Key: | AYVIIORWAOXALK-UHFFFAOYSA-N |