azane;copper(1+);cyanide

CH3CuN2 — CID 23509629

IUPACazane;copper(1+);cyanide
SMILESN.[C-]#N.[Cu+]
InChIInChI=1S/CN.Cu.H3N/c1-2;;/h;;1H3/q-1;+1;
InChIKeyHLIHZZUMMQGXQE-UHFFFAOYSA-N
MW106.59 g/mol
LogP0.26
Rot. Bonds

About azane;copper(1+);cyanide

azane;copper(1+);cyanide (PubChem CID 23509629) has the molecular formula CH3CuN2 and a molecular weight of 106.59 g/mol. Its IUPAC name is azane;copper(1+);cyanide.

Molecular Properties

Compound Nameazane;copper(1+);cyanide
PubChem CID23509629
Molecular FormulaCH3CuN2
Molecular Weight106.59 g/mol
Exact Mass105.96
IUPAC Nameazane;copper(1+);cyanide
SMILESN.[C-]#N.[Cu+]
InChIInChI=1S/CN.Cu.H3N/c1-2;;/h;;1H3/q-1;+1;
InChIKeyHLIHZZUMMQGXQE-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 ≤ 500106.59
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;copper(1+);cyanide?
The IUPAC name of azane;copper(1+);cyanide (CID 23509629) is azane;copper(1+);cyanide.
What is the SMILES notation for azane;copper(1+);cyanide?
The canonical SMILES for azane;copper(1+);cyanide is N.[C-]#N.[Cu+].
What is the InChIKey of azane;copper(1+);cyanide?
The InChIKey is HLIHZZUMMQGXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.Cu.H3N/c1-2;;/h;;1H3/q-1;+1;.
What are the key properties of azane;copper(1+);cyanide?
azane;copper(1+);cyanide has a molecular weight of 106.59 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;copper(1+);cyanide is sourced from PubChem (CID 23509629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).