copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate

C26H33Cl2CuN9O8 — CID 139176683

About copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate

copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate (PubChem CID 139176683) has the molecular formula C26H33Cl2CuN9O8 and a molecular weight of 734.06 g/mol. Its IUPAC name is copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate.

Molecular Properties

• Compound Name: copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate
• PubChem CID: 139176683
• Molecular Formula: C26H33Cl2CuN9O8
• Molecular Weight: 734.06 g/mol
• Exact Mass: 732.11
• IUPAC Name: copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate
• SMILES: CC#N.CN(CCN(C)Cc1cn(Cc2ccccc2)nn1)Cc1cn(Cc2ccccc2)nn1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/C24H30N8.C2H3N.2ClHO4.Cu/c1-29(17-23-19-31(27-25-23)15-21-9-5-3-6-10-21)13-14-30(2)18-24-20-32(28-26-24)16-22-11-7-4-8-12-22;1-2-3;2*2-1(3,4)5;/h3-12,19-20H,13-18H2,1-2H3;1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
• InChIKey: CLBNCGLWPLFRLF-UHFFFAOYSA-L
• XLogP: -6.45
• TPSA: 276.17 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.06
LogP ≤ 5	-6.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate?

The IUPAC name of copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate (CID 139176683) is copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate.

What is the SMILES notation for copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate?

The canonical SMILES for copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate is CC#N.CN(CCN(C)Cc1cn(Cc2ccccc2)nn1)Cc1cn(Cc2ccccc2)nn1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate?

The InChIKey is CLBNCGLWPLFRLF-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H30N8.C2H3N.2ClHO4.Cu/c1-29(17-23-19-31(27-25-23)15-21-9-5-3-6-10-21)13-14-30(2)18-24-20-32(28-26-24)16-22-11-7-4-8-12-22;1-2-3;2*2-1(3,4)5;/h3-12,19-20H,13-18H2,1-2H3;1H3;2*(H,2,3,4,5);/q;;;;+2/p-2.

What are the key properties of copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate?

copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate has a molecular weight of 734.06 g/mol, XLogP of -6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for copper;acetonitrile;N,N'-bis[(1-benzyltriazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;diperchlorate is sourced from PubChem (CID 139176683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).