copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate

C28H24Cl2CuN8O8 — CID 139137076

IUPACcopper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2cc(-c3ccccn3)nn2)cc1.c1ccc(Cn2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/2C14H12N4.2ClHO4.Cu/c2*1-2-6-12(7-3-1)10-18-11-14(16-17-18)13-8-4-5-9-15-13;2*2-1(3,4)5;/h2*1-9,11H,10H2;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyCBPMXQUBAOAVCR-UHFFFAOYSA-L
MW735.00 g/mol
LogP-4.74
Rot. Bonds6

About copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate

copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate (PubChem CID 139137076) has the molecular formula C28H24Cl2CuN8O8 and a molecular weight of 735.00 g/mol. Its IUPAC name is copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate.

Molecular Properties

Compound Namecopper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate
PubChem CID139137076
Molecular FormulaC28H24Cl2CuN8O8
Molecular Weight735.00 g/mol
Exact Mass733.04
IUPAC Namecopper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2cc(-c3ccccn3)nn2)cc1.c1ccc(Cn2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/2C14H12N4.2ClHO4.Cu/c2*1-2-6-12(7-3-1)10-18-11-14(16-17-18)13-8-4-5-9-15-13;2*2-1(3,4)5;/h2*1-9,11H,10H2;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyCBPMXQUBAOAVCR-UHFFFAOYSA-L
XLogP-4.74
TPSA271.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.00
LogP ≤ 5-4.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

Bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate
CID 139163369
2-(3-Tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)
CID 139138251
Copper;acetonitrile;bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);diperchlorate
CID 139038474
Bis[mu-3{5}-(2-pyridyl)pyrazolido]bis[(acetonitrile)copper(II)] diperchlorate
CID 139058632
Bis[4'-(4-methylphenyl)-2,2':6',2''-terpyridine-kappa^3^N,N', N'']manganese(II) bis(perchlorate)
CID 139072923
Cobalt(2+);bis(7-pyridin-2-yl-8-aza-1-azonia-9-azanidabicyclo[4.3.0]nona-1,3,5,7-tetraene);diselenocyanate
CID 139125085
copper;acetonitrile;1-(6-phenyl-2-pyridinyl)-N,N-bis(pyridin-2-ylmethyl)methanamine;diperchlorate
CID 139128651
Copper;acetonitrile;1,8-bis[(1-benzyltriazol-4-yl)methyl]-1,4,8,11-tetrazacyclotetradecane;diperchlorate
CID 139131941
1,8-Bis[(1-benzyltriazol-4-yl)methyl]-1,4,8,11-tetrazacyclotetradecane;nickel(2+);diperchlorate
CID 139131943
ZINC;1,8-bis[(1-benzyltriazol-4-yl)methyl]-1,4,8,11-tetrazacyclotetradecane;diperchlorate
CID 139131944
zinc;tris(acetonitrile);N-[(1-anthracen-2-yltriazol-4-yl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;diperchlorate
CID 139131952
Bis(acetonitrile);bis(2-(1-benzyltriazol-4-yl)pyridine);palladium(2+);ditetrafluoroborate
CID 139135873

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate?
The IUPAC name of copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate (CID 139137076) is copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate.
What is the SMILES notation for copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate?
The canonical SMILES for copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate is [Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2cc(-c3ccccn3)nn2)cc1.c1ccc(Cn2cc(-c3ccccn3)nn2)cc1.
What is the InChIKey of copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate?
The InChIKey is CBPMXQUBAOAVCR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H12N4.2ClHO4.Cu/c2*1-2-6-12(7-3-1)10-18-11-14(16-17-18)13-8-4-5-9-15-13;2*2-1(3,4)5;/h2*1-9,11H,10H2;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate?
copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate has a molecular weight of 735.00 g/mol, XLogP of -4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate is sourced from PubChem (CID 139137076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).