7-(2-chloropropanoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(2-chloropropanoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(2-chloropropanoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | T003-0379 |
| Compound Name: | 7-(2-chloropropanoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 272.73 |
| Molecular Formula: | C11 H17 Cl N4 O2 |
| Smiles: | CCCN1C(N2CCN(CC2=N1)C(C(C)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2258 |
| logD: | 1.2256 |
| logSw: | -1.3555 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.096 |
| InChI Key: | AEUPXRFGVQBZOM-QMMMGPOBSA-N |