Nitrofurazone

C₆H₆N₄O₄ — CID 5447130

About Nitrofurazone

Nitrofurazone (PubChem CID 5447130) has the molecular formula C₆H₆N₄O₄ and a molecular weight of 198.14 g/mol. Its IUPAC name is [(E)-(5-nitrofuran-2-yl)methylideneamino]urea.

Molecular Properties

• Compound Name: Nitrofurazone
• PubChem CID: 5447130
• Molecular Formula: C₆H₆N₄O₄
• Molecular Weight: 198.14 g/mol
• Exact Mass: 198.04
• IUPAC Name: [(E)-(5-nitrofuran-2-yl)methylideneamino]urea
• SMILES: NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
• InChI: InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+
• InChIKey: IAIWVQXQOWNYOU-FPYGCLRLSA-N
• XLogP: 0.19
• TPSA: 123.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.14
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Nitrofurazone?

The IUPAC name of Nitrofurazone (CID 5447130) is [(E)-(5-nitrofuran-2-yl)methylideneamino]urea.

What is the SMILES notation for Nitrofurazone?

The canonical SMILES for Nitrofurazone is NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1.

What is the InChIKey of Nitrofurazone?

The InChIKey is IAIWVQXQOWNYOU-FPYGCLRLSA-N. The full InChI is InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+.

What are the key properties of Nitrofurazone?

Nitrofurazone has a molecular weight of 198.14 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Nitrofurazone is sourced from PubChem (CID 5447130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5447130 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1950 — approved-drug record (CC BY-SA 4.0)

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