copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)

C22H14CuN12 — CID 139083719

IUPACcopper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)
SMILES[Cu+2].c1ccc(-c2n[n-]c(-c3cnccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3cnccn3)n2)nc1
InChIInChI=1S/2C11H7N6.Cu/c2*1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9;/h2*1-7H;/q2*-1;+2
InChIKeyHNVFSWMLFBDUDQ-UHFFFAOYSA-N
MW509.98 g/mol
LogP1.90
Rot. Bonds4

About copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)

copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine) (PubChem CID 139083719) has the molecular formula C22H14CuN12 and a molecular weight of 509.98 g/mol. Its IUPAC name is copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine).

Molecular Properties

Compound Namecopper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)
PubChem CID139083719
Molecular FormulaC22H14CuN12
Molecular Weight509.98 g/mol
Exact Mass509.08
IUPAC Namecopper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)
SMILES[Cu+2].c1ccc(-c2n[n-]c(-c3cnccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3cnccn3)n2)nc1
InChIInChI=1S/2C11H7N6.Cu/c2*1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9;/h2*1-7H;/q2*-1;+2
InChIKeyHNVFSWMLFBDUDQ-UHFFFAOYSA-N
XLogP1.90
TPSA157.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.98
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5,7-Dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118525809
Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
CID 142576013
Platinum(2+);bis(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine)
CID 155809276
Bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);hydrate
CID 168338208
1-[(5-Fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;1-[[5-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole;iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567818
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567832
Bis(1-[(2,5-difluorobenzene-6-id-1-yl)methyl]pyrazole);iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567834
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-(5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771571
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771573
1,3-Difluorobenzene-5-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);pyridine;5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771579
Methanone;osmium(2+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 58788801
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;iridium(3+);5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 59167574

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)?
The IUPAC name of copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine) (CID 139083719) is copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine).
What is the SMILES notation for copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)?
The canonical SMILES for copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine) is [Cu+2].c1ccc(-c2n[n-]c(-c3cnccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3cnccn3)n2)nc1.
What is the InChIKey of copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)?
The InChIKey is HNVFSWMLFBDUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7N6.Cu/c2*1-2-4-13-8(3-1)10-15-11(17-16-10)9-7-12-5-6-14-9;/h2*1-7H;/q2*-1;+2.
What are the key properties of copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine)?
copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine) has a molecular weight of 509.98 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyrazine) is sourced from PubChem (CID 139083719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).