4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione

C12H12N2O3 — CID 6625046

IUPAC4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione
SMILESCOc1ccc(Cn2cc[nH]c(=O)c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)8-14-7-6-13-11(15)12(14)16/h2-7H,8H2,1H3,(H,13,15)
InChIKeyYAOUPMMRIJHBGH-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.59
Rot. Bonds3

About 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione

4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione (PubChem CID 6625046) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione
PubChem CID6625046
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione
SMILESCOc1ccc(Cn2cc[nH]c(=O)c2=O)cc1
InChIInChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)8-14-7-6-13-11(15)12(14)16/h2-7H,8H2,1H3,(H,13,15)
InChIKeyYAOUPMMRIJHBGH-UHFFFAOYSA-N
XLogP0.59
TPSA64.09 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione (CID 6625046) is 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione is COc1ccc(Cn2cc[nH]c(=O)c2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione?
The InChIKey is YAOUPMMRIJHBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)8-14-7-6-13-11(15)12(14)16/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione?
4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione has a molecular weight of 232.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1H-pyrazine-2,3-dione is sourced from PubChem (CID 6625046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).