7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
Compound ID: | S901-1010 |
Compound Name: | 7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-2-(2-methylpropyl)-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
Molecular Weight: | 408.5 |
Molecular Formula: | C22 H28 N6 O2 |
Smiles: | CCn1c(C)c(cn1)C(N1CCN2C(C1c1ccccc1)=NN(CC(C)C)C2=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4372 |
logD: | 3.4372 |
logSw: | -3.474 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 62.104 |
InChI Key: | YBWWPTPRXQTCKB-LJQANCHMSA-N |