trisodium;iron(3+);nitroxyl anion;pentacyanide

C5FeN6Na3O — CID 173146033

IUPACtrisodium;iron(3+);nitroxyl anion;pentacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3].[N-]=O.[Na+].[Na+].[Na+]
InChIInChI=1S/5CN.Fe.NO.3Na/c5*1-2;;1-2;;;/q5*-1;+3;-1;3*+1
InChIKeyRLAGPYQZHIOXEU-UHFFFAOYSA-N
MW284.91 g/mol
LogP-8.19
Rot. Bonds

About trisodium;iron(3+);nitroxyl anion;pentacyanide

trisodium;iron(3+);nitroxyl anion;pentacyanide (PubChem CID 173146033) has the molecular formula C5FeN6Na3O and a molecular weight of 284.91 g/mol. Its IUPAC name is trisodium;iron(3+);nitroxyl anion;pentacyanide.

Molecular Properties

Compound Nametrisodium;iron(3+);nitroxyl anion;pentacyanide
PubChem CID173146033
Molecular FormulaC5FeN6Na3O
Molecular Weight284.91 g/mol
Exact Mass284.92
IUPAC Nametrisodium;iron(3+);nitroxyl anion;pentacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3].[N-]=O.[Na+].[Na+].[Na+]
InChIInChI=1S/5CN.Fe.NO.3Na/c5*1-2;;1-2;;;/q5*-1;+3;-1;3*+1
InChIKeyRLAGPYQZHIOXEU-UHFFFAOYSA-N
XLogP-8.19
TPSA158.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.91
LogP ≤ 5-8.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;iron(6+);nitroxyl anion;pentacyanide
CID 173086359
iron(4+);nitroxyl anion;pentacyanide
CID 140862411
tripotassium;chromium(3+);nitroxyl anion;pentacyanide
CID 21144783
tetrasodium;iron(3+);hexacyanide;hydroxide
CID 173042074
sodium cyanide
CID 8929
diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide
CID 173117699
sodium;rhodium(2+);cyanide
CID 23681508
tricopper;tetrakis(iron(3+));octadecacyanide
CID 173169344
trisodium;iron(2+);pentacyanide
CID 157307614
sodium;iron(2+);tricyanide
CID 159498297
sodium;hydride;cyanide
CID 24940185
silver;sodium;cyanide
CID 23700743

Frequently Asked Questions

What is the IUPAC name of trisodium;iron(3+);nitroxyl anion;pentacyanide?
The IUPAC name of trisodium;iron(3+);nitroxyl anion;pentacyanide (CID 173146033) is trisodium;iron(3+);nitroxyl anion;pentacyanide.
What is the SMILES notation for trisodium;iron(3+);nitroxyl anion;pentacyanide?
The canonical SMILES for trisodium;iron(3+);nitroxyl anion;pentacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3].[N-]=O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;iron(3+);nitroxyl anion;pentacyanide?
The InChIKey is RLAGPYQZHIOXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.NO.3Na/c5*1-2;;1-2;;;/q5*-1;+3;-1;3*+1.
What are the key properties of trisodium;iron(3+);nitroxyl anion;pentacyanide?
trisodium;iron(3+);nitroxyl anion;pentacyanide has a molecular weight of 284.91 g/mol, XLogP of -8.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;iron(3+);nitroxyl anion;pentacyanide is sourced from PubChem (CID 173146033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).