2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one

C6H10N2O2 — CID 134924296

IUPAC2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one
SMILESCC1NC(=O)C=[N+]([O-])C1C
InChIInChI=1S/C6H10N2O2/c1-4-5(2)8(10)3-6(9)7-4/h3-5H,1-2H3,(H,7,9)
InChIKeyGEXNEUVSKZHOGL-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.53
Rot. Bonds

About 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one

2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one (PubChem CID 134924296) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one.

Molecular Properties

Compound Name2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one
PubChem CID134924296
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one
SMILESCC1NC(=O)C=[N+]([O-])C1C
InChIInChI=1S/C6H10N2O2/c1-4-5(2)8(10)3-6(9)7-4/h3-5H,1-2H3,(H,7,9)
InChIKeyGEXNEUVSKZHOGL-UHFFFAOYSA-N
XLogP-0.53
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one?
The IUPAC name of 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one (CID 134924296) is 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one.
What is the SMILES notation for 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one?
The canonical SMILES for 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one is CC1NC(=O)C=[N+]([O-])C1C.
What is the InChIKey of 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one?
The InChIKey is GEXNEUVSKZHOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(2)8(10)3-6(9)7-4/h3-5H,1-2H3,(H,7,9).
What are the key properties of 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one?
2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one has a molecular weight of 142.16 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxido-2,3-dihydro-1H-pyrazin-4-ium-6-one is sourced from PubChem (CID 134924296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).