dioxidanium;copper;tetrakis(imidazol-3-ide)

C12H18CuN8O2-2 — CID 137349558

IUPACdioxidanium;copper;tetrakis(imidazol-3-ide)
SMILES[Cu].[OH3+].[OH3+].c1c[n-]cn1.c1c[n-]cn1.c1c[n-]cn1.c1c[n-]cn1
InChIInChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;;;/p+2
InChIKeyFJDYOFSGZUCZNB-UHFFFAOYSA-P
MW369.88 g/mol
LogP-1.69
Rot. Bonds

About dioxidanium;copper;tetrakis(imidazol-3-ide)

dioxidanium;copper;tetrakis(imidazol-3-ide) (PubChem CID 137349558) has the molecular formula C12H18CuN8O2-2 and a molecular weight of 369.88 g/mol. Its IUPAC name is dioxidanium;copper;tetrakis(imidazol-3-ide).

Molecular Properties

Compound Namedioxidanium;copper;tetrakis(imidazol-3-ide)
PubChem CID137349558
Molecular FormulaC12H18CuN8O2-2
Molecular Weight369.88 g/mol
Exact Mass369.09
IUPAC Namedioxidanium;copper;tetrakis(imidazol-3-ide)
SMILES[Cu].[OH3+].[OH3+].c1c[n-]cn1.c1c[n-]cn1.c1c[n-]cn1.c1c[n-]cn1
InChIInChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;;;/p+2
InChIKeyFJDYOFSGZUCZNB-UHFFFAOYSA-P
XLogP-1.69
TPSA173.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 5-1.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxidanium;copper;tetrakis(imidazol-3-ide)?
The IUPAC name of dioxidanium;copper;tetrakis(imidazol-3-ide) (CID 137349558) is dioxidanium;copper;tetrakis(imidazol-3-ide).
What is the SMILES notation for dioxidanium;copper;tetrakis(imidazol-3-ide)?
The canonical SMILES for dioxidanium;copper;tetrakis(imidazol-3-ide) is [Cu].[OH3+].[OH3+].c1c[n-]cn1.c1c[n-]cn1.c1c[n-]cn1.c1c[n-]cn1.
What is the InChIKey of dioxidanium;copper;tetrakis(imidazol-3-ide)?
The InChIKey is FJDYOFSGZUCZNB-UHFFFAOYSA-P. The full InChI is InChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;;;/p+2.
What are the key properties of dioxidanium;copper;tetrakis(imidazol-3-ide)?
dioxidanium;copper;tetrakis(imidazol-3-ide) has a molecular weight of 369.88 g/mol, XLogP of -1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;copper;tetrakis(imidazol-3-ide) is sourced from PubChem (CID 137349558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).