6-methyl-3-oxo-2H-pyrazine-2-carboxamide

C6H7N3O2 — CID 72746174

IUPAC6-methyl-3-oxo-2H-pyrazine-2-carboxamide
SMILESCC1=NC(C(N)=O)C(=O)N=C1
InChIInChI=1S/C6H7N3O2/c1-3-2-8-6(11)4(9-3)5(7)10/h2,4H,1H3,(H2,7,10)
InChIKeyYSELXXKKAGPKLN-UHFFFAOYSA-N
MW153.14 g/mol
LogP-1.09
Rot. Bonds1

About 6-methyl-3-oxo-2H-pyrazine-2-carboxamide

6-methyl-3-oxo-2H-pyrazine-2-carboxamide (PubChem CID 72746174) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-methyl-3-oxo-2H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-3-oxo-2H-pyrazine-2-carboxamide
PubChem CID72746174
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name6-methyl-3-oxo-2H-pyrazine-2-carboxamide
SMILESCC1=NC(C(N)=O)C(=O)N=C1
InChIInChI=1S/C6H7N3O2/c1-3-2-8-6(11)4(9-3)5(7)10/h2,4H,1H3,(H2,7,10)
InChIKeyYSELXXKKAGPKLN-UHFFFAOYSA-N
XLogP-1.09
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-3-oxo-2H-pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxo-2H-pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-3-oxo-2H-pyrazine-2-carboxamide (CID 72746174) is 6-methyl-3-oxo-2H-pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-3-oxo-2H-pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-3-oxo-2H-pyrazine-2-carboxamide is CC1=NC(C(N)=O)C(=O)N=C1.
What is the InChIKey of 6-methyl-3-oxo-2H-pyrazine-2-carboxamide?
The InChIKey is YSELXXKKAGPKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-3-2-8-6(11)4(9-3)5(7)10/h2,4H,1H3,(H2,7,10).
What are the key properties of 6-methyl-3-oxo-2H-pyrazine-2-carboxamide?
6-methyl-3-oxo-2H-pyrazine-2-carboxamide has a molecular weight of 153.14 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxo-2H-pyrazine-2-carboxamide is sourced from PubChem (CID 72746174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).