N-hydroxy-4H-imidazol-2-amine oxide

C3H5N3O2 — CID 141344103

IUPACN-hydroxy-4H-imidazol-2-amine oxide
SMILES[O-][NH+](O)C1=NCC=N1
InChIInChI=1S/C3H5N3O2/c7-6(8)3-4-1-2-5-3/h1,6-7H,2H2
InChIKeyAGPPHLNUJSKJMS-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.80
Rot. Bonds

About N-hydroxy-4H-imidazol-2-amine oxide

N-hydroxy-4H-imidazol-2-amine oxide (PubChem CID 141344103) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is N-hydroxy-4H-imidazol-2-amine oxide.

Molecular Properties

Compound NameN-hydroxy-4H-imidazol-2-amine oxide
PubChem CID141344103
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC NameN-hydroxy-4H-imidazol-2-amine oxide
SMILES[O-][NH+](O)C1=NCC=N1
InChIInChI=1S/C3H5N3O2/c7-6(8)3-4-1-2-5-3/h1,6-7H,2H2
InChIKeyAGPPHLNUJSKJMS-UHFFFAOYSA-N
XLogP-1.80
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-4H-imidazol-2-amine oxide 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 N-hydroxy-4H-imidazol-2-amine oxide?
The IUPAC name of N-hydroxy-4H-imidazol-2-amine oxide (CID 141344103) is N-hydroxy-4H-imidazol-2-amine oxide.
What is the SMILES notation for N-hydroxy-4H-imidazol-2-amine oxide?
The canonical SMILES for N-hydroxy-4H-imidazol-2-amine oxide is [O-][NH+](O)C1=NCC=N1.
What is the InChIKey of N-hydroxy-4H-imidazol-2-amine oxide?
The InChIKey is AGPPHLNUJSKJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c7-6(8)3-4-1-2-5-3/h1,6-7H,2H2.
What are the key properties of N-hydroxy-4H-imidazol-2-amine oxide?
N-hydroxy-4H-imidazol-2-amine oxide has a molecular weight of 115.09 g/mol, XLogP of -1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4H-imidazol-2-amine oxide is sourced from PubChem (CID 141344103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).