diazanium;copper;tetranitrate

H8CuN6O12 — CID 172846491

IUPACdiazanium;copper;tetranitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[NH4+].[NH4+]
InChIInChI=1S/Cu.4NO3.2H3N/c;4*2-1(3)4;;/h;;;;;2*1H3/q+2;4*-1;;/p+2
InChIKeyXMLKIJQRCHBVRH-UHFFFAOYSA-P
MW347.64 g/mol
LogP-0.21
Rot. Bonds

About diazanium;copper;tetranitrate

diazanium;copper;tetranitrate (PubChem CID 172846491) has the molecular formula H8CuN6O12 and a molecular weight of 347.64 g/mol. Its IUPAC name is diazanium;copper;tetranitrate.

Molecular Properties

Compound Namediazanium;copper;tetranitrate
PubChem CID172846491
Molecular FormulaH8CuN6O12
Molecular Weight347.64 g/mol
Exact Mass346.95
IUPAC Namediazanium;copper;tetranitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[NH4+].[NH4+]
InChIInChI=1S/Cu.4NO3.2H3N/c;4*2-1(3)4;;/h;;;;;2*1H3/q+2;4*-1;;/p+2
InChIKeyXMLKIJQRCHBVRH-UHFFFAOYSA-P
XLogP-0.21
TPSA337.80 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 diazanium;copper;tetranitrate?
The IUPAC name of diazanium;copper;tetranitrate (CID 172846491) is diazanium;copper;tetranitrate.
What is the SMILES notation for diazanium;copper;tetranitrate?
The canonical SMILES for diazanium;copper;tetranitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].[NH4+].[NH4+].
What is the InChIKey of diazanium;copper;tetranitrate?
The InChIKey is XMLKIJQRCHBVRH-UHFFFAOYSA-P. The full InChI is InChI=1S/Cu.4NO3.2H3N/c;4*2-1(3)4;;/h;;;;;2*1H3/q+2;4*-1;;/p+2.
What are the key properties of diazanium;copper;tetranitrate?
diazanium;copper;tetranitrate has a molecular weight of 347.64 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;copper;tetranitrate is sourced from PubChem (CID 172846491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).