nickel(3+) tricyanide

C3N3Ni — CID 149151859

IUPACnickel(3+) tricyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[Ni+3]
InChIInChI=1S/3CN.Ni/c3*1-2;/q3*-1;+3
InChIKeyKLURVKSCKJJIJE-UHFFFAOYSA-N
MW136.75 g/mol
LogP0.29
Rot. Bonds

About nickel(3+) tricyanide

nickel(3+) tricyanide (PubChem CID 149151859) has the molecular formula C3N3Ni and a molecular weight of 136.75 g/mol. Its IUPAC name is nickel(3+) tricyanide.

Molecular Properties

Compound Namenickel(3+) tricyanide
PubChem CID149151859
Molecular FormulaC3N3Ni
Molecular Weight136.75 g/mol
Exact Mass135.94
IUPAC Namenickel(3+) tricyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[Ni+3]
InChIInChI=1S/3CN.Ni/c3*1-2;/q3*-1;+3
InChIKeyKLURVKSCKJJIJE-UHFFFAOYSA-N
XLogP0.29
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.75
LogP ≤ 50.29
H-Bond Donors ≤ 50
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 nickel(3+) tricyanide?
The IUPAC name of nickel(3+) tricyanide (CID 149151859) is nickel(3+) tricyanide.
What is the SMILES notation for nickel(3+) tricyanide?
The canonical SMILES for nickel(3+) tricyanide is [C-]#N.[C-]#N.[C-]#N.[Ni+3].
What is the InChIKey of nickel(3+) tricyanide?
The InChIKey is KLURVKSCKJJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/3CN.Ni/c3*1-2;/q3*-1;+3.
What are the key properties of nickel(3+) tricyanide?
nickel(3+) tricyanide has a molecular weight of 136.75 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(3+) tricyanide is sourced from PubChem (CID 149151859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).