6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one

C12H12N2O3 — CID 106514360

IUPAC6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1ccc(-c2cncc(=O)[nH]2)cc1OC
InChIInChI=1S/C12H12N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-13-7-12(15)14-9/h3-7H,1-2H3,(H,14,15)
InChIKeyFKBYPKCQVAFSLU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.45
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one

6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one (PubChem CID 106514360) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
PubChem CID106514360
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1ccc(-c2cncc(=O)[nH]2)cc1OC
InChIInChI=1S/C12H12N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-13-7-12(15)14-9/h3-7H,1-2H3,(H,14,15)
InChIKeyFKBYPKCQVAFSLU-UHFFFAOYSA-N
XLogP1.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one
CID 68607908
2-(3,4-dimethoxyphenyl)-1H-pyridin-4-one
CID 53229468
6-(6-methyl-3-pyridinyl)-1H-pyrazin-2-one
CID 106517757
6-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518555
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596
4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-1H-pyridin-2-one
CID 44545014
5-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methylsulfinylpyrimidine
CID 174640688
1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651303
5-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1H-pyrazol-3-one
CID 16765792
4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
CID 10804945
2-(3,4-dimethoxyphenyl)-1,2,4-triazine-3,5-dione
CID 12569276
5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 63047414

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one (CID 106514360) is 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one is COc1ccc(-c2cncc(=O)[nH]2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one?
The InChIKey is FKBYPKCQVAFSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-13-7-12(15)14-9/h3-7H,1-2H3,(H,14,15).
What are the key properties of 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one?
6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 106514360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).