copper;1-oxa-4,7,10-triazacyclododecane;dinitrate

C8H19CuN5O7 — CID 139159341

IUPACcopper;1-oxa-4,7,10-triazacyclododecane;dinitrate
SMILESC1CNCCOCCNCCN1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C8H19N3O.Cu.2NO3/c1-3-10-5-7-12-8-6-11-4-2-9-1;;2*2-1(3)4/h9-11H,1-8H2;;;/q;+2;2*-1
InChIKeyVTUBQVGYWUFUGN-UHFFFAOYSA-N
MW360.81 g/mol
LogP-1.70
Rot. Bonds

About copper;1-oxa-4,7,10-triazacyclododecane;dinitrate

copper;1-oxa-4,7,10-triazacyclododecane;dinitrate (PubChem CID 139159341) has the molecular formula C8H19CuN5O7 and a molecular weight of 360.81 g/mol. Its IUPAC name is copper;1-oxa-4,7,10-triazacyclododecane;dinitrate.

Molecular Properties

Compound Namecopper;1-oxa-4,7,10-triazacyclododecane;dinitrate
PubChem CID139159341
Molecular FormulaC8H19CuN5O7
Molecular Weight360.81 g/mol
Exact Mass360.06
IUPAC Namecopper;1-oxa-4,7,10-triazacyclododecane;dinitrate
SMILESC1CNCCOCCNCCN1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C8H19N3O.Cu.2NO3/c1-3-10-5-7-12-8-6-11-4-2-9-1;;2*2-1(3)4/h9-11H,1-8H2;;;/q;+2;2*-1
InChIKeyVTUBQVGYWUFUGN-UHFFFAOYSA-N
XLogP-1.70
TPSA177.72 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;1-oxa-4,7,10-triazacyclododecane;dinitrate?
The IUPAC name of copper;1-oxa-4,7,10-triazacyclododecane;dinitrate (CID 139159341) is copper;1-oxa-4,7,10-triazacyclododecane;dinitrate.
What is the SMILES notation for copper;1-oxa-4,7,10-triazacyclododecane;dinitrate?
The canonical SMILES for copper;1-oxa-4,7,10-triazacyclododecane;dinitrate is C1CNCCOCCNCCN1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;1-oxa-4,7,10-triazacyclododecane;dinitrate?
The InChIKey is VTUBQVGYWUFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O.Cu.2NO3/c1-3-10-5-7-12-8-6-11-4-2-9-1;;2*2-1(3)4/h9-11H,1-8H2;;;/q;+2;2*-1.
What are the key properties of copper;1-oxa-4,7,10-triazacyclododecane;dinitrate?
copper;1-oxa-4,7,10-triazacyclododecane;dinitrate has a molecular weight of 360.81 g/mol, XLogP of -1.70, 0 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-oxa-4,7,10-triazacyclododecane;dinitrate is sourced from PubChem (CID 139159341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).