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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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).