copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate

C26H22Cl2CuN10O8 — CID 139137070

IUPACcopper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2cc(-c3ccccn3)nn2)nc1.c1ccc(Cn2cc(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C13H11N5.2ClHO4.Cu/c2*1-3-7-14-11(5-1)9-18-10-13(16-17-18)12-6-2-4-8-15-12;2*2-1(3,4)5;/h2*1-8,10H,9H2;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyGVGGPXCUPCSMMP-UHFFFAOYSA-L
MW736.98 g/mol
LogP-5.95
Rot. Bonds6

About copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate

copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate (PubChem CID 139137070) has the molecular formula C26H22Cl2CuN10O8 and a molecular weight of 736.98 g/mol. Its IUPAC name is copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate.

Molecular Properties

Compound Namecopper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate
PubChem CID139137070
Molecular FormulaC26H22Cl2CuN10O8
Molecular Weight736.98 g/mol
Exact Mass735.03
IUPAC Namecopper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2cc(-c3ccccn3)nn2)nc1.c1ccc(Cn2cc(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C13H11N5.2ClHO4.Cu/c2*1-3-7-14-11(5-1)9-18-10-13(16-17-18)12-6-2-4-8-15-12;2*2-1(3,4)5;/h2*1-8,10H,9H2;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyGVGGPXCUPCSMMP-UHFFFAOYSA-L
XLogP-5.95
TPSA297.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.98
LogP ≤ 5-5.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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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
Dicopper;dioxidanium;2,3,5,6-tetrapyridin-2-ylpyrazine;tetrakis(trifluoromethanesulfonate)
CID 168347971
2-(5-Methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510491
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2,6-dipyridin-2-ylpyridine;ruthenium(2+)
CID 140578653
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(carbon dioxide);2,6-dipyridin-2-ylpyridine;ruthenium(2+)
CID 161649176
2-(4-pyridin-2-yltriazol-1-yl)-N,N-bis[2-(4-pyridin-2-yltriazol-1-yl)ethyl]ethanamine
CID 101854036
Bis-(2,2'-bipyridine palladium nitrate) dication
CID 122164920
Bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate
CID 139038760
Cu-tpbn
CID 139048259
bis(N,N-dimethylformamide);bis(2,6-dipyridin-2-ylpyridine);bis(phenyl(phenyldiazenyl)azanide);bis(platinum(2+));diperchlorate
CID 139053756
Bis[3-(2-pyridyl)pyrazolato]palladium(II)
CID 139056007
Bis(2,2':6',2''-Terpyridine-N,N',N'')-manganese(ii) tetrathionate, trihydrate
CID 139058387

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate?
The IUPAC name of copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate (CID 139137070) is copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate.
What is the SMILES notation for copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate?
The canonical SMILES for copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate is [Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(Cn2cc(-c3ccccn3)nn2)nc1.c1ccc(Cn2cc(-c3ccccn3)nn2)nc1.
What is the InChIKey of copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate?
The InChIKey is GVGGPXCUPCSMMP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H11N5.2ClHO4.Cu/c2*1-3-7-14-11(5-1)9-18-10-13(16-17-18)12-6-2-4-8-15-12;2*2-1(3,4)5;/h2*1-8,10H,9H2;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate?
copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate has a molecular weight of 736.98 g/mol, XLogP of -5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate is sourced from PubChem (CID 139137070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).