azane;nickel;cyanide

CH3N2Ni- — CID 175402806

IUPACazane;nickel;cyanide
SMILESN.[C-]#N.[Ni]
InChIInChI=1S/CN.H3N.Ni/c1-2;;/h;1H3;/q-1;;
InChIKeyLASFKODDHLMPKF-UHFFFAOYSA-N
MW101.74 g/mol
LogP0.26
Rot. Bonds

About azane;nickel;cyanide

azane;nickel;cyanide (PubChem CID 175402806) has the molecular formula CH3N2Ni- and a molecular weight of 101.74 g/mol. Its IUPAC name is azane;nickel;cyanide.

Molecular Properties

Compound Nameazane;nickel;cyanide
PubChem CID175402806
Molecular FormulaCH3N2Ni-
Molecular Weight101.74 g/mol
Exact Mass100.97
IUPAC Nameazane;nickel;cyanide
SMILESN.[C-]#N.[Ni]
InChIInChI=1S/CN.H3N.Ni/c1-2;;/h;1H3;/q-1;;
InChIKeyLASFKODDHLMPKF-UHFFFAOYSA-N
XLogP0.26
TPSA58.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.74
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;cyanide?
The IUPAC name of azane;nickel;cyanide (CID 175402806) is azane;nickel;cyanide.
What is the SMILES notation for azane;nickel;cyanide?
The canonical SMILES for azane;nickel;cyanide is N.[C-]#N.[Ni].
What is the InChIKey of azane;nickel;cyanide?
The InChIKey is LASFKODDHLMPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.H3N.Ni/c1-2;;/h;1H3;/q-1;;.
What are the key properties of azane;nickel;cyanide?
azane;nickel;cyanide has a molecular weight of 101.74 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nickel;cyanide is sourced from PubChem (CID 175402806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).