azane;nickel(2+);dicyanide

C2H3N3Ni — CID 160876197

IUPACazane;nickel(2+);dicyanide
SMILESN.[C-]#N.[C-]#N.[Ni+2]
InChIInChI=1S/2CN.H3N.Ni/c2*1-2;;/h;;1H3;/q2*-1;;+2
InChIKeyDYGZTSAEXYLANW-UHFFFAOYSA-N
MW127.76 g/mol
LogP0.35
Rot. Bonds

About azane;nickel(2+);dicyanide

azane;nickel(2+);dicyanide (PubChem CID 160876197) has the molecular formula C2H3N3Ni and a molecular weight of 127.76 g/mol. Its IUPAC name is azane;nickel(2+);dicyanide.

Molecular Properties

Compound Nameazane;nickel(2+);dicyanide
PubChem CID160876197
Molecular FormulaC2H3N3Ni
Molecular Weight127.76 g/mol
Exact Mass126.97
IUPAC Nameazane;nickel(2+);dicyanide
SMILESN.[C-]#N.[C-]#N.[Ni+2]
InChIInChI=1S/2CN.H3N.Ni/c2*1-2;;/h;;1H3;/q2*-1;;+2
InChIKeyDYGZTSAEXYLANW-UHFFFAOYSA-N
XLogP0.35
TPSA82.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.76
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;nickel(2+);dicyanide?
The IUPAC name of azane;nickel(2+);dicyanide (CID 160876197) is azane;nickel(2+);dicyanide.
What is the SMILES notation for azane;nickel(2+);dicyanide?
The canonical SMILES for azane;nickel(2+);dicyanide is N.[C-]#N.[C-]#N.[Ni+2].
What is the InChIKey of azane;nickel(2+);dicyanide?
The InChIKey is DYGZTSAEXYLANW-UHFFFAOYSA-N. The full InChI is InChI=1S/2CN.H3N.Ni/c2*1-2;;/h;;1H3;/q2*-1;;+2.
What are the key properties of azane;nickel(2+);dicyanide?
azane;nickel(2+);dicyanide has a molecular weight of 127.76 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nickel(2+);dicyanide is sourced from PubChem (CID 160876197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).