Hydroxyurea

CH₄N₂O₂ — CID 3657

About Hydroxyurea

Hydroxyurea (PubChem CID 3657) has the molecular formula CH₄N₂O₂ and a molecular weight of 76.05 g/mol. Its IUPAC name is hydroxyurea.

Molecular Properties

• Compound Name: Hydroxyurea
• PubChem CID: 3657
• Molecular Formula: CH₄N₂O₂
• Molecular Weight: 76.05 g/mol
• Exact Mass: 76.03
• IUPAC Name: hydroxyurea
• SMILES: NC(=O)NO
• InChI: InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
• InChIKey: VSNHCAURESNICA-UHFFFAOYSA-N
• XLogP: -0.96
• TPSA: 75.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	76.05
LogP ≤ 5	-0.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Hydroxyurea?

The IUPAC name of Hydroxyurea (CID 3657) is hydroxyurea.

What is the SMILES notation for Hydroxyurea?

The canonical SMILES for Hydroxyurea is NC(=O)NO.

What is the InChIKey of Hydroxyurea?

The InChIKey is VSNHCAURESNICA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4).

What are the key properties of Hydroxyurea?

Hydroxyurea has a molecular weight of 76.05 g/mol, XLogP of -0.96, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Hydroxyurea is sourced from PubChem (CID 3657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3657 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1399 — approved-drug record (CC BY-SA 4.0)

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