copper(1+) azide

CuN3 — CID 57468320

IUPACcopper(1+) azide
SMILES[Cu+].[N-]=[N+]=[N-]
InChIInChI=1S/Cu.N3/c;1-3-2/q+1;-1
InChIKeyIXSIQMIYJPIHFR-UHFFFAOYSA-N
MW105.57 g/mol
LogP0.86
Rot. Bonds

About copper(1+) azide

copper(1+) azide (PubChem CID 57468320) has the molecular formula CuN3 and a molecular weight of 105.57 g/mol. Its IUPAC name is copper(1+) azide.

Molecular Properties

Compound Namecopper(1+) azide
PubChem CID57468320
Molecular FormulaCuN3
Molecular Weight105.57 g/mol
Exact Mass104.94
IUPAC Namecopper(1+) azide
SMILES[Cu+].[N-]=[N+]=[N-]
InChIInChI=1S/Cu.N3/c;1-3-2/q+1;-1
InChIKeyIXSIQMIYJPIHFR-UHFFFAOYSA-N
XLogP0.86
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.57
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper(1+) azide?
The IUPAC name of copper(1+) azide (CID 57468320) is copper(1+) azide.
What is the SMILES notation for copper(1+) azide?
The canonical SMILES for copper(1+) azide is [Cu+].[N-]=[N+]=[N-].
What is the InChIKey of copper(1+) azide?
The InChIKey is IXSIQMIYJPIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.N3/c;1-3-2/q+1;-1.
What are the key properties of copper(1+) azide?
copper(1+) azide has a molecular weight of 105.57 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+) azide is sourced from PubChem (CID 57468320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).