1,4-dihydropyrazine-2,3-dione

C4H4N2O2 — CID 2774693

IUPAC1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc[nH]c1=O
InChIInChI=1S/C4H4N2O2/c7-3-4(8)6-2-1-5-3/h1-2H,(H,5,7)(H,6,8)
InChIKeyCIGLZLCKRXOFQU-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.94
Rot. Bonds

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

1,4-dihydropyrazine-2,3-dione (PubChem CID 2774693) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name1,4-dihydropyrazine-2,3-dione
PubChem CID2774693
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name1,4-dihydropyrazine-2,3-dione
SMILESO=c1[nH]cc[nH]c1=O
InChIInChI=1S/C4H4N2O2/c7-3-4(8)6-2-1-5-3/h1-2H,(H,5,7)(H,6,8)
InChIKeyCIGLZLCKRXOFQU-UHFFFAOYSA-N
XLogP-0.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 1,4-dihydropyrazine-2,3-dione (CID 2774693) is 1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 1,4-dihydropyrazine-2,3-dione is O=c1[nH]cc[nH]c1=O.
What is the InChIKey of 1,4-dihydropyrazine-2,3-dione?
The InChIKey is CIGLZLCKRXOFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-4(8)6-2-1-5-3/h1-2H,(H,5,7)(H,6,8).
What are the key properties of 1,4-dihydropyrazine-2,3-dione?
1,4-dihydropyrazine-2,3-dione has a molecular weight of 112.09 g/mol, XLogP of -0.94, 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 is sourced from PubChem (CID 2774693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).