3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one

C17H22N2O2 — CID 14881158

IUPAC3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one
SMILESCCc1nc(Cc2ccccc2)c(=O)n(CCO)c1CC
InChIInChI=1S/C17H22N2O2/c1-3-14-16(4-2)19(10-11-20)17(21)15(18-14)12-13-8-6-5-7-9-13/h5-9,20H,3-4,10-12H2,1-2H3
InChIKeyCECMOPUZPLYXNM-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.95
Rot. Bonds6

About 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one

3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one (PubChem CID 14881158) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one
PubChem CID14881158
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one
SMILESCCc1nc(Cc2ccccc2)c(=O)n(CCO)c1CC
InChIInChI=1S/C17H22N2O2/c1-3-14-16(4-2)19(10-11-20)17(21)15(18-14)12-13-8-6-5-7-9-13/h5-9,20H,3-4,10-12H2,1-2H3
InChIKeyCECMOPUZPLYXNM-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one?
The IUPAC name of 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one (CID 14881158) is 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one.
What is the SMILES notation for 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one?
The canonical SMILES for 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one is CCc1nc(Cc2ccccc2)c(=O)n(CCO)c1CC.
What is the InChIKey of 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one?
The InChIKey is CECMOPUZPLYXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-14-16(4-2)19(10-11-20)17(21)15(18-14)12-13-8-6-5-7-9-13/h5-9,20H,3-4,10-12H2,1-2H3.
What are the key properties of 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one?
3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one has a molecular weight of 286.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,6-diethyl-1-(2-hydroxyethyl)pyrazin-2-one is sourced from PubChem (CID 14881158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).