7-(but-2-ynoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(but-2-ynoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(but-2-ynoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | T003-0388 |
| Compound Name: | 7-(but-2-ynoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 220.23 |
| Molecular Formula: | C10 H12 N4 O2 |
| Smiles: | CC#CC(N1CCN2C(C1)=NN(C)C2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3459 |
| logD: | 0.3459 |
| logSw: | -0.3724 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.269 |
| InChI Key: | ZQYTXJQTHSXKTD-UHFFFAOYSA-N |