hydroxyazanium;hydrochloride

H5ClNO+ — CID 22029257

IUPAChydroxyazanium;hydrochloride
SMILESCl.[NH3+]O
InChIInChI=1S/ClH.H4NO/c;1-2/h1H;2H,1H3/q;+1
InChIKeyWCYJQVALWQMJGE-UHFFFAOYSA-N
MW70.50 g/mol
LogP-0.96
Rot. Bonds

About hydroxyazanium;hydrochloride

hydroxyazanium;hydrochloride (PubChem CID 22029257) has the molecular formula H5ClNO+ and a molecular weight of 70.50 g/mol. Its IUPAC name is hydroxyazanium;hydrochloride.

Molecular Properties

Compound Namehydroxyazanium;hydrochloride
PubChem CID22029257
Molecular FormulaH5ClNO+
Molecular Weight70.50 g/mol
Exact Mass70.01
IUPAC Namehydroxyazanium;hydrochloride
SMILESCl.[NH3+]O
InChIInChI=1S/ClH.H4NO/c;1-2/h1H;2H,1H3/q;+1
InChIKeyWCYJQVALWQMJGE-UHFFFAOYSA-N
XLogP-0.96
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.50
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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;hydrochloride?
The IUPAC name of hydroxyazanium;hydrochloride (CID 22029257) is hydroxyazanium;hydrochloride.
What is the SMILES notation for hydroxyazanium;hydrochloride?
The canonical SMILES for hydroxyazanium;hydrochloride is Cl.[NH3+]O.
What is the InChIKey of hydroxyazanium;hydrochloride?
The InChIKey is WCYJQVALWQMJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.H4NO/c;1-2/h1H;2H,1H3/q;+1.
What are the key properties of hydroxyazanium;hydrochloride?
hydroxyazanium;hydrochloride has a molecular weight of 70.50 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyazanium;hydrochloride is sourced from PubChem (CID 22029257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).