4-ethyl-1H-pyrazine-2,3-dione

C6H8N2O2 — CID 13366245

IUPAC4-ethyl-1H-pyrazine-2,3-dione
SMILESCCn1cc[nH]c(=O)c1=O
InChIInChI=1S/C6H8N2O2/c1-2-8-4-3-7-5(9)6(8)10/h3-4H,2H2,1H3,(H,7,9)
InChIKeyWVLHVMZHVUCJGN-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.44
Rot. Bonds1

About 4-ethyl-1H-pyrazine-2,3-dione

4-ethyl-1H-pyrazine-2,3-dione (PubChem CID 13366245) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-ethyl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-ethyl-1H-pyrazine-2,3-dione
PubChem CID13366245
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4-ethyl-1H-pyrazine-2,3-dione
SMILESCCn1cc[nH]c(=O)c1=O
InChIInChI=1S/C6H8N2O2/c1-2-8-4-3-7-5(9)6(8)10/h3-4H,2H2,1H3,(H,7,9)
InChIKeyWVLHVMZHVUCJGN-UHFFFAOYSA-N
XLogP-0.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-1H-pyrazine-2,3-dione?
The IUPAC name of 4-ethyl-1H-pyrazine-2,3-dione (CID 13366245) is 4-ethyl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-ethyl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-ethyl-1H-pyrazine-2,3-dione is CCn1cc[nH]c(=O)c1=O.
What is the InChIKey of 4-ethyl-1H-pyrazine-2,3-dione?
The InChIKey is WVLHVMZHVUCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-8-4-3-7-5(9)6(8)10/h3-4H,2H2,1H3,(H,7,9).
What are the key properties of 4-ethyl-1H-pyrazine-2,3-dione?
4-ethyl-1H-pyrazine-2,3-dione has a molecular weight of 140.14 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 13366245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).