Pyrazinamide

C₅H₅N₃O — CID 1046

About Pyrazinamide

Pyrazinamide (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 Name: Pyrazinamide
• PubChem CID: 1046
• Molecular Formula: C₅H₅N₃O
• Molecular Weight: 123.11 g/mol
• Exact Mass: 123.04
• IUPAC Name: pyrazine-2-carboxamide
• SMILES: NC(=O)c1cnccn1
• InChI: InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
• InChIKey: IPEHBUMCGVEMRF-UHFFFAOYSA-N
• XLogP: -0.42
• TPSA: 68.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	123.11
LogP ≤ 5	-0.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Pyrazinamide?

The IUPAC name of Pyrazinamide (CID 1046) is pyrazine-2-carboxamide.

What is the SMILES notation for Pyrazinamide?

The canonical SMILES for Pyrazinamide is NC(=O)c1cnccn1.

What is the InChIKey of Pyrazinamide?

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 Pyrazinamide?

Pyrazinamide 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 Pyrazinamide is sourced from PubChem (CID 1046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1046 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2328 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.