1,4-dihydropyrazine-2,3-dione;ethane

C6H10N2O2 — CID 66844377

IUPAC1,4-dihydropyrazine-2,3-dione;ethane
SMILESCC.O=c1[nH]cc[nH]c1=O
InChIInChI=1S/C4H4N2O2.C2H6/c7-3-4(8)6-2-1-5-3;1-2/h1-2H,(H,5,7)(H,6,8);1-2H3
InChIKeyOOXJXEDDFBQZBT-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.09
Rot. Bonds

About 1,4-dihydropyrazine-2,3-dione;ethane

1,4-dihydropyrazine-2,3-dione;ethane (PubChem CID 66844377) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1,4-dihydropyrazine-2,3-dione;ethane.

Molecular Properties

Compound Name1,4-dihydropyrazine-2,3-dione;ethane
PubChem CID66844377
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1,4-dihydropyrazine-2,3-dione;ethane
SMILESCC.O=c1[nH]cc[nH]c1=O
InChIInChI=1S/C4H4N2O2.C2H6/c7-3-4(8)6-2-1-5-3;1-2/h1-2H,(H,5,7)(H,6,8);1-2H3
InChIKeyOOXJXEDDFBQZBT-UHFFFAOYSA-N
XLogP0.09
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrazine-2,3-diol
CID 2774693
1-Methyl-1,2,3,4-tetrahydropyrazine-2,3-dione
CID 13366344
3,4-dihydro-1H-pyrazin-2-one
CID 19739714
Trihydroxypyrazine
CID 20221599
1-Ethyl-1,4-dihydropyrazine-2,3-dione
CID 13366245
Vinylglycine ketimine
CID 18794948
4-Fluoro-1,3-dihydropyrazin-2-one
CID 169792298
2-(ethenylamino)-N-methoxy-N-methylacetamide;tungsten
CID 134970801
4-fluoro-1H-pyrazine-2,3-dione
CID 143722974
1-Isopropyl-1,4-dihydropyrazine-2,3-dione
CID 13366346
2-(1H-pyrazin-4-yl)acetamide
CID 18366663
4-(2-oxopropyl)-1H-pyrazine-2,3-dione
CID 18741245

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrazine-2,3-dione;ethane?
The IUPAC name of 1,4-dihydropyrazine-2,3-dione;ethane (CID 66844377) is 1,4-dihydropyrazine-2,3-dione;ethane.
What is the SMILES notation for 1,4-dihydropyrazine-2,3-dione;ethane?
The canonical SMILES for 1,4-dihydropyrazine-2,3-dione;ethane is CC.O=c1[nH]cc[nH]c1=O.
What is the InChIKey of 1,4-dihydropyrazine-2,3-dione;ethane?
The InChIKey is OOXJXEDDFBQZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C2H6/c7-3-4(8)6-2-1-5-3;1-2/h1-2H,(H,5,7)(H,6,8);1-2H3.
What are the key properties of 1,4-dihydropyrazine-2,3-dione;ethane?
1,4-dihydropyrazine-2,3-dione;ethane has a molecular weight of 142.16 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrazine-2,3-dione;ethane is sourced from PubChem (CID 66844377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).