hydroxyurea

CH4N2O2 — CID 3657

💊View drug profile → hydroxycarbamide
IUPAChydroxyurea
SMILESNC(=O)NO
InChIInChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
InChIKeyVSNHCAURESNICA-UHFFFAOYSA-N
MW76.05 g/mol
LogP-0.96
Rot. Bonds

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 Namehydroxyurea
PubChem CID3657
Molecular FormulaCH4N2O2
Molecular Weight76.05 g/mol
Exact Mass76.03
IUPAC Namehydroxyurea
SMILESNC(=O)NO
InChIInChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
InChIKeyVSNHCAURESNICA-UHFFFAOYSA-N
XLogP-0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.05
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydroxyurea
CID 12706
Urea, hydrate
CID 12201322
Hydroperoxyurea
CID 13828328
Urea monoxide
CID 22178895
1,1-Dihydroxyurea
CID 23617222
1-Hydroxy-1-sulfanylurea
CID 87570777
Hydroxylamino ketone hydro chloride
CID 129804183
Urea monoxide-water
CID 129845511
Hydroxyurea-15N
CID 11469042
hydroxy(11C)urea
CID 450684
Hydroxyurea-d4
CID 138402702
hydroxy(14C)urea
CID 12228192

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).