[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetonitrile
Chemical Structure Depiction of
[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetonitrile
[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetonitrile
Compound characteristics
| Compound ID: | F366-0063 |
| Compound Name: | [4-(3-methylbutyl)-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl]acetonitrile |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C16 H17 N5 O2 |
| Smiles: | CC(C)CCN1C2=NN(CC#N)C(N2c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0263 |
| logD: | 2.0263 |
| logSw: | -2.689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.927 |
| InChI Key: | HVDGRMAVRJIMSO-UHFFFAOYSA-N |