trisodium;azane;iron(2+);pentacyanide;trihydrate

C5H9FeN6Na3O3 — CID 25016380

IUPACtrisodium;azane;iron(2+);pentacyanide;trihydrate
SMILESN.O.O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Na+].[Na+].[Na+]
InChIInChI=1S/5CN.Fe.H3N.3Na.3H2O/c5*1-2;;;;;;;;/h;;;;;;1H3;;;;3*1H2/q5*-1;+2;;3*+1;;;
InChIKeyJXVUFOARNCDFRR-UHFFFAOYSA-N
MW325.98 g/mol
LogP-10.82
Rot. Bonds

About trisodium;azane;iron(2+);pentacyanide;trihydrate

trisodium;azane;iron(2+);pentacyanide;trihydrate (PubChem CID 25016380) has the molecular formula C5H9FeN6Na3O3 and a molecular weight of 325.98 g/mol. Its IUPAC name is trisodium;azane;iron(2+);pentacyanide;trihydrate.

Molecular Properties

Compound Nametrisodium;azane;iron(2+);pentacyanide;trihydrate
PubChem CID25016380
Molecular FormulaC5H9FeN6Na3O3
Molecular Weight325.98 g/mol
Exact Mass325.98
IUPAC Nametrisodium;azane;iron(2+);pentacyanide;trihydrate
SMILESN.O.O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Na+].[Na+].[Na+]
InChIInChI=1S/5CN.Fe.H3N.3Na.3H2O/c5*1-2;;;;;;;;/h;;;;;;1H3;;;;3*1H2/q5*-1;+2;;3*+1;;;
InChIKeyJXVUFOARNCDFRR-UHFFFAOYSA-N
XLogP-10.82
TPSA248.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 5-10.82
H-Bond Donors ≤ 51
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

trisodium;iron(2+);pentacyanide
CID 157307614
sodium;iron(2+);tricyanide
CID 159498297
disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate
CID 73415791
sodium;cobalt(2+);iron(2+);pentacyanide
CID 169093006
cyanide hydrate
CID 71367363
sodium cyanide
CID 8929
diazanium;tetrasodium;azane;tris(iron(3+));pentadecacyanide
CID 173117699
iron(2+);manganese(2+);tetracyanide
CID 163753486
sodium;rhodium(2+);cyanide
CID 23681508
azane;nickel(2+);dicyanide
CID 160876197
distrontium;iron(2+);hexacyanide
CID 175579115
sodium;hydride;cyanide
CID 24940185

Frequently Asked Questions

What is the IUPAC name of trisodium;azane;iron(2+);pentacyanide;trihydrate?
The IUPAC name of trisodium;azane;iron(2+);pentacyanide;trihydrate (CID 25016380) is trisodium;azane;iron(2+);pentacyanide;trihydrate.
What is the SMILES notation for trisodium;azane;iron(2+);pentacyanide;trihydrate?
The canonical SMILES for trisodium;azane;iron(2+);pentacyanide;trihydrate is N.O.O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;azane;iron(2+);pentacyanide;trihydrate?
The InChIKey is JXVUFOARNCDFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.H3N.3Na.3H2O/c5*1-2;;;;;;;;/h;;;;;;1H3;;;;3*1H2/q5*-1;+2;;3*+1;;;.
What are the key properties of trisodium;azane;iron(2+);pentacyanide;trihydrate?
trisodium;azane;iron(2+);pentacyanide;trihydrate has a molecular weight of 325.98 g/mol, XLogP of -10.82, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;azane;iron(2+);pentacyanide;trihydrate is sourced from PubChem (CID 25016380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).