azanium;sodium;chloride;nitrite;hydrate

H6ClN2NaO3 — CID 158161706

IUPACazanium;sodium;chloride;nitrite;hydrate
SMILESO.O=N[O-].[Cl-].[NH4+].[Na+]
InChIInChI=1S/ClH.HNO2.H3N.Na.H2O/c;2-1-3;;;/h1H;(H,2,3);1H3;;1H2/q;;;+1;/p-1
InChIKeyFWISKXJFQDPVBM-UHFFFAOYSA-M
MW140.50 g/mol
LogP-6.19
Rot. Bonds

About azanium;sodium;chloride;nitrite;hydrate

azanium;sodium;chloride;nitrite;hydrate (PubChem CID 158161706) has the molecular formula H6ClN2NaO3 and a molecular weight of 140.50 g/mol. Its IUPAC name is azanium;sodium;chloride;nitrite;hydrate.

Molecular Properties

Compound Nameazanium;sodium;chloride;nitrite;hydrate
PubChem CID158161706
Molecular FormulaH6ClN2NaO3
Molecular Weight140.50 g/mol
Exact Mass140.00
IUPAC Nameazanium;sodium;chloride;nitrite;hydrate
SMILESO.O=N[O-].[Cl-].[NH4+].[Na+]
InChIInChI=1S/ClH.HNO2.H3N.Na.H2O/c;2-1-3;;;/h1H;(H,2,3);1H3;;1H2/q;;;+1;/p-1
InChIKeyFWISKXJFQDPVBM-UHFFFAOYSA-M
XLogP-6.19
TPSA120.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.50
LogP ≤ 5-6.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanium;sodium;chloride;nitrite;hydrate?
The IUPAC name of azanium;sodium;chloride;nitrite;hydrate (CID 158161706) is azanium;sodium;chloride;nitrite;hydrate.
What is the SMILES notation for azanium;sodium;chloride;nitrite;hydrate?
The canonical SMILES for azanium;sodium;chloride;nitrite;hydrate is O.O=N[O-].[Cl-].[NH4+].[Na+].
What is the InChIKey of azanium;sodium;chloride;nitrite;hydrate?
The InChIKey is FWISKXJFQDPVBM-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH.HNO2.H3N.Na.H2O/c;2-1-3;;;/h1H;(H,2,3);1H3;;1H2/q;;;+1;/p-1.
What are the key properties of azanium;sodium;chloride;nitrite;hydrate?
azanium;sodium;chloride;nitrite;hydrate has a molecular weight of 140.50 g/mol, XLogP of -6.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;sodium;chloride;nitrite;hydrate is sourced from PubChem (CID 158161706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).