dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate

C18H24Cu2N8O8 — CID 139207236

IUPACdicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.O.[Cu+2].[Cu+2].c1ccc(-c2ncn[n-]2)nc1.c1ccc(-c2nnc[n-]2)nc1
InChIInChI=1S/2C7H5N4.2C2H4O2.2Cu.4H2O/c2*1-2-4-8-6(3-1)7-9-5-10-11-7;2*1-2(3)4;;;;;;/h2*1-5H;2*1H3,(H,3,4);;;4*1H2/q2*-1;;;2*+2;;;;/p-2
InChIKeyMYIZTUPCIDUKAX-UHFFFAOYSA-L
MW607.53 g/mol
LogP-4.80
Rot. Bonds2

About dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate

dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate (PubChem CID 139207236) has the molecular formula C18H24Cu2N8O8 and a molecular weight of 607.53 g/mol. Its IUPAC name is dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate.

Molecular Properties

Compound Namedicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate
PubChem CID139207236
Molecular FormulaC18H24Cu2N8O8
Molecular Weight607.53 g/mol
Exact Mass606.03
IUPAC Namedicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.O.[Cu+2].[Cu+2].c1ccc(-c2ncn[n-]2)nc1.c1ccc(-c2nnc[n-]2)nc1
InChIInChI=1S/2C7H5N4.2C2H4O2.2Cu.4H2O/c2*1-2-4-8-6(3-1)7-9-5-10-11-7;2*1-2(3)4;;;;;;/h2*1-5H;2*1H3,(H,3,4);;;4*1H2/q2*-1;;;2*+2;;;;/p-2
InChIKeyMYIZTUPCIDUKAX-UHFFFAOYSA-L
XLogP-4.80
TPSA311.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.53
LogP ≤ 5-4.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate?
The IUPAC name of dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate (CID 139207236) is dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate.
What is the SMILES notation for dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate?
The canonical SMILES for dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate is CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Cu+2].[Cu+2].c1ccc(-c2ncn[n-]2)nc1.c1ccc(-c2nnc[n-]2)nc1.
What is the InChIKey of dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate?
The InChIKey is MYIZTUPCIDUKAX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5N4.2C2H4O2.2Cu.4H2O/c2*1-2-4-8-6(3-1)7-9-5-10-11-7;2*1-2(3)4;;;;;;/h2*1-5H;2*1H3,(H,3,4);;;4*1H2/q2*-1;;;2*+2;;;;/p-2.
What are the key properties of dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate?
dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate has a molecular weight of 607.53 g/mol, XLogP of -4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;2-(1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;diacetate;tetrahydrate is sourced from PubChem (CID 139207236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).