copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate

C9H21ClCuN4O7 — CID 139064874

IUPACcopper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate
SMILESCN1CCN(C)CCN(C)CC1.O=[N+]([O-])[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H21N3.ClHO4.Cu.NO3/c1-10-4-6-11(2)8-9-12(3)7-5-10;2-1(3,4)5;;2-1(3)4/h4-9H2,1-3H3;(H,2,3,4,5);;/q;;+2;-1/p-1
InChIKeyMAANLRLYLDSNTE-UHFFFAOYSA-M
MW396.29 g/mol
LogP-5.20
Rot. Bonds

About copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate

copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate (PubChem CID 139064874) has the molecular formula C9H21ClCuN4O7 and a molecular weight of 396.29 g/mol. Its IUPAC name is copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate.

Molecular Properties

Compound Namecopper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate
PubChem CID139064874
Molecular FormulaC9H21ClCuN4O7
Molecular Weight396.29 g/mol
Exact Mass395.04
IUPAC Namecopper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate
SMILESCN1CCN(C)CCN(C)CC1.O=[N+]([O-])[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H21N3.ClHO4.Cu.NO3/c1-10-4-6-11(2)8-9-12(3)7-5-10;2-1(3,4)5;;2-1(3)4/h4-9H2,1-3H3;(H,2,3,4,5);;/q;;+2;-1/p-1
InChIKeyMAANLRLYLDSNTE-UHFFFAOYSA-M
XLogP-5.20
TPSA168.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 5-5.20
H-Bond Donors ≤ 50
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;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate?
The IUPAC name of copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate (CID 139064874) is copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate.
What is the SMILES notation for copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate?
The canonical SMILES for copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate is CN1CCN(C)CCN(C)CC1.O=[N+]([O-])[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate?
The InChIKey is MAANLRLYLDSNTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21N3.ClHO4.Cu.NO3/c1-10-4-6-11(2)8-9-12(3)7-5-10;2-1(3,4)5;;2-1(3)4/h4-9H2,1-3H3;(H,2,3,4,5);;/q;;+2;-1/p-1.
What are the key properties of copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate?
copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate has a molecular weight of 396.29 g/mol, XLogP of -5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,4,7-trimethyl-1,4,7-triazonane;nitrate;perchlorate is sourced from PubChem (CID 139064874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).