4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione

C12H12N2O4 — CID 22424261

IUPAC4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione
SMILESCOc1ccc(-n2cc[nH]c(=O)c2=O)cc1OC
InChIInChI=1S/C12H12N2O4/c1-17-9-4-3-8(7-10(9)18-2)14-6-5-13-11(15)12(14)16/h3-7H,1-2H3,(H,13,15)
InChIKeyYRJVQEVGNJNGBQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.54
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione

4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione (PubChem CID 22424261) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione
PubChem CID22424261
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione
SMILESCOc1ccc(-n2cc[nH]c(=O)c2=O)cc1OC
InChIInChI=1S/C12H12N2O4/c1-17-9-4-3-8(7-10(9)18-2)14-6-5-13-11(15)12(14)16/h3-7H,1-2H3,(H,13,15)
InChIKeyYRJVQEVGNJNGBQ-UHFFFAOYSA-N
XLogP0.54
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Ucm 793
CID 24750192
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}butanamide
CID 24750071
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-[2-(4-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750188
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
N-(3,4-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 886009
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
3-Methoxyacetaminophen
CID 3080594
2-cyano-N-(3,4-dimethoxyphenyl)acetamide
CID 3788216
2,3-Dihydroxy-6,7-dimethoxyquinoxaline
CID 613780

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione (CID 22424261) is 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione is COc1ccc(-n2cc[nH]c(=O)c2=O)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione?
The InChIKey is YRJVQEVGNJNGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-9-4-3-8(7-10(9)18-2)14-6-5-13-11(15)12(14)16/h3-7H,1-2H3,(H,13,15).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione?
4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione has a molecular weight of 248.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione is sourced from PubChem (CID 22424261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).