5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide

C7H9N3O2 — CID 76845443

IUPAC5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide
SMILESCC1=NC(=O)C(C(N)=O)N=C1C
InChIInChI=1S/C7H9N3O2/c1-3-4(2)10-7(12)5(9-3)6(8)11/h5H,1-2H3,(H2,8,11)
InChIKeyJJGPBQJWPSRKJY-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.70
Rot. Bonds1

About 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide

5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide (PubChem CID 76845443) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide
PubChem CID76845443
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide
SMILESCC1=NC(=O)C(C(N)=O)N=C1C
InChIInChI=1S/C7H9N3O2/c1-3-4(2)10-7(12)5(9-3)6(8)11/h5H,1-2H3,(H2,8,11)
InChIKeyJJGPBQJWPSRKJY-UHFFFAOYSA-N
XLogP-0.70
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide (CID 76845443) is 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide is CC1=NC(=O)C(C(N)=O)N=C1C.
What is the InChIKey of 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide?
The InChIKey is JJGPBQJWPSRKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-3-4(2)10-7(12)5(9-3)6(8)11/h5H,1-2H3,(H2,8,11).
What are the key properties of 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide?
5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxamide is sourced from PubChem (CID 76845443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).