7-(pent-4-ynoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(pent-4-ynoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(pent-4-ynoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | T003-0381 |
| Compound Name: | 7-(pent-4-ynoyl)-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 262.31 |
| Molecular Formula: | C13 H18 N4 O2 |
| Smiles: | CCCN1C(N2CCN(CC2=N1)C(CCC#C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8422 |
| logD: | 0.8418 |
| logSw: | -0.6071 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.569 |
| InChI Key: | HREAQFLSRPTDCW-UHFFFAOYSA-N |