3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one

C12H12N2O3 — CID 7245844

IUPAC3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(OC)c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-16-10-5-3-9(4-6-10)14-8-7-13-11(17-2)12(14)15/h3-8H,1-2H3
InChIKeyKMVHLDNUMDFNLL-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.25
Rot. Bonds3

About 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one

3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one (PubChem CID 7245844) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one
PubChem CID7245844
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(OC)c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-16-10-5-3-9(4-6-10)14-8-7-13-11(17-2)12(14)15/h3-8H,1-2H3
InChIKeyKMVHLDNUMDFNLL-UHFFFAOYSA-N
XLogP1.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one (CID 7245844) is 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one is COc1ccc(-n2ccnc(OC)c2=O)cc1.
What is the InChIKey of 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one?
The InChIKey is KMVHLDNUMDFNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-10-5-3-9(4-6-10)14-8-7-13-11(17-2)12(14)15/h3-8H,1-2H3.
What are the key properties of 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one?
3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 7245844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).