hydroxyazanium hydroxide

H5NO2 — CID 18668478

IUPAChydroxyazanium hydroxide
SMILES[NH3+]O.[OH-]
InChIInChI=1S/H4NO.H2O/c1-2;/h2H,1H3;1H2/q+1;/p-1
InChIKeyBNQQIDJXBITWBK-UHFFFAOYSA-M
MW51.05 g/mol
LogP-1.56
Rot. Bonds

About hydroxyazanium hydroxide

hydroxyazanium hydroxide (PubChem CID 18668478) has the molecular formula H5NO2 and a molecular weight of 51.05 g/mol. Its IUPAC name is hydroxyazanium hydroxide.

Molecular Properties

Compound Namehydroxyazanium hydroxide
PubChem CID18668478
Molecular FormulaH5NO2
Molecular Weight51.05 g/mol
Exact Mass51.03
IUPAC Namehydroxyazanium hydroxide
SMILES[NH3+]O.[OH-]
InChIInChI=1S/H4NO.H2O/c1-2;/h2H,1H3;1H2/q+1;/p-1
InChIKeyBNQQIDJXBITWBK-UHFFFAOYSA-M
XLogP-1.56
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50051.05
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxyazanium hydroxide?
The IUPAC name of hydroxyazanium hydroxide (CID 18668478) is hydroxyazanium hydroxide.
What is the SMILES notation for hydroxyazanium hydroxide?
The canonical SMILES for hydroxyazanium hydroxide is [NH3+]O.[OH-].
What is the InChIKey of hydroxyazanium hydroxide?
The InChIKey is BNQQIDJXBITWBK-UHFFFAOYSA-M. The full InChI is InChI=1S/H4NO.H2O/c1-2;/h2H,1H3;1H2/q+1;/p-1.
What are the key properties of hydroxyazanium hydroxide?
hydroxyazanium hydroxide has a molecular weight of 51.05 g/mol, XLogP of -1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyazanium hydroxide is sourced from PubChem (CID 18668478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).