pyrazine-2-carboxamide

C5H5N3O — CID 1046

💊View drug profile → pyrazinamide
IUPACpyrazine-2-carboxamide
SMILESNC(=O)c1cnccn1
InChIInChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKeyIPEHBUMCGVEMRF-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.42
Rot. Bonds1

About pyrazine-2-carboxamide

pyrazine-2-carboxamide (PubChem CID 1046) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is pyrazine-2-carboxamide.

Molecular Properties

Compound Namepyrazine-2-carboxamide
PubChem CID1046
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Namepyrazine-2-carboxamide
SMILESNC(=O)c1cnccn1
InChIInChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKeyIPEHBUMCGVEMRF-UHFFFAOYSA-N
XLogP-0.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 pyrazine-2-carboxamide?
The IUPAC name of pyrazine-2-carboxamide (CID 1046) is pyrazine-2-carboxamide.
What is the SMILES notation for pyrazine-2-carboxamide?
The canonical SMILES for pyrazine-2-carboxamide is NC(=O)c1cnccn1.
What is the InChIKey of pyrazine-2-carboxamide?
The InChIKey is IPEHBUMCGVEMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9).
What are the key properties of pyrazine-2-carboxamide?
pyrazine-2-carboxamide has a molecular weight of 123.11 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine-2-carboxamide is sourced from PubChem (CID 1046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).