7-(2-chloropropanoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(2-chloropropanoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(2-chloropropanoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | T003-0387 |
| Compound Name: | 7-(2-chloropropanoyl)-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 244.68 |
| Molecular Formula: | C9 H13 Cl N4 O2 |
| Smiles: | CC(C(N1CCN2C(C1)=NN(C)C2=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3796 |
| logD: | 0.3794 |
| logSw: | -0.576 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.797 |
| InChI Key: | CGHUCQSPKAINOQ-LURJTMIESA-N |