azane;nickel(2+);dinitrate

H3N3NiO6 — CID 14767401

IUPACazane;nickel(2+);dinitrate
SMILESN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2]
InChIInChI=1S/2NO3.H3N.Ni/c2*2-1(3)4;;/h;;1H3;/q2*-1;;+2
InChIKeyGBVHZBMVFWLGMT-UHFFFAOYSA-N
MW199.73 g/mol
LogP-0.32
Rot. Bonds

About azane;nickel(2+);dinitrate

azane;nickel(2+);dinitrate (PubChem CID 14767401) has the molecular formula H3N3NiO6 and a molecular weight of 199.73 g/mol. Its IUPAC name is azane;nickel(2+);dinitrate.

Molecular Properties

Compound Nameazane;nickel(2+);dinitrate
PubChem CID14767401
Molecular FormulaH3N3NiO6
Molecular Weight199.73 g/mol
Exact Mass198.94
IUPAC Nameazane;nickel(2+);dinitrate
SMILESN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2]
InChIInChI=1S/2NO3.H3N.Ni/c2*2-1(3)4;;/h;;1H3;/q2*-1;;+2
InChIKeyGBVHZBMVFWLGMT-UHFFFAOYSA-N
XLogP-0.32
TPSA167.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of azane;nickel(2+);dinitrate?
The IUPAC name of azane;nickel(2+);dinitrate (CID 14767401) is azane;nickel(2+);dinitrate.
What is the SMILES notation for azane;nickel(2+);dinitrate?
The canonical SMILES for azane;nickel(2+);dinitrate is N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ni+2].
What is the InChIKey of azane;nickel(2+);dinitrate?
The InChIKey is GBVHZBMVFWLGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2NO3.H3N.Ni/c2*2-1(3)4;;/h;;1H3;/q2*-1;;+2.
What are the key properties of azane;nickel(2+);dinitrate?
azane;nickel(2+);dinitrate has a molecular weight of 199.73 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nickel(2+);dinitrate is sourced from PubChem (CID 14767401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).