2-methyl-7-[(3-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
2-methyl-7-[(3-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
2-methyl-7-[(3-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | CM4439-0950 |
| Compound Name: | 2-methyl-7-[(3-methylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 264.35 |
| Molecular Formula: | C12 H16 N4 O S |
| Smiles: | Cc1ccsc1CN1CCN2C(C1)=NN(C)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.5414 |
| logD: | 1.2022 |
| logSw: | -1.9333 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.628 |
| InChI Key: | QJOUPTLLQUPLIB-UHFFFAOYSA-N |