octasodium;cyanoazanide;iron

C5H5FeN10Na8+3 — CID 173217772

IUPACoctasodium;cyanoazanide;iron
SMILESN#C[NH-].N#C[NH-].N#C[NH-].N#C[NH-].N#C[NH-].[Fe].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5CHN2.Fe.8Na/c5*2-1-3;;;;;;;;;/h5*2H;;;;;;;;;/q5*-1;;8*+1
InChIKeyRSTXOZJGVRSOKV-UHFFFAOYSA-N
MW444.93 g/mol
LogP-21.37
Rot. Bonds

About octasodium;cyanoazanide;iron

octasodium;cyanoazanide;iron (PubChem CID 173217772) has the molecular formula C5H5FeN10Na8+3 and a molecular weight of 444.93 g/mol. Its IUPAC name is octasodium;cyanoazanide;iron.

Molecular Properties

Compound Nameoctasodium;cyanoazanide;iron
PubChem CID173217772
Molecular FormulaC5H5FeN10Na8+3
Molecular Weight444.93 g/mol
Exact Mass444.92
IUPAC Nameoctasodium;cyanoazanide;iron
SMILESN#C[NH-].N#C[NH-].N#C[NH-].N#C[NH-].N#C[NH-].[Fe].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5CHN2.Fe.8Na/c5*2-1-3;;;;;;;;;/h5*2H;;;;;;;;;/q5*-1;;8*+1
InChIKeyRSTXOZJGVRSOKV-UHFFFAOYSA-N
XLogP-21.37
TPSA237.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 5-21.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

iron;zinc;dihydrate
CID 173247580
CID 173056163
CID 173056163
nickel;oxalonitrile;zinc
CID 160956168
octanonacontasodium;thiocyanic acid
CID 173362917
disodium;cyanamide
CID 3015093
sodium cyanoboranuide
CID 5003444
sodium;thiocyanate;dihydrate
CID 23673205
sodium;hydride;scandium;hydrate
CID 174797344
iron;dodecahydrate
CID 173337995
iron;hydrate
CID 173302268
zinc;icosahydrate
CID 173373032
iron;undecahydrate
CID 42626946

Frequently Asked Questions

What is the IUPAC name of octasodium;cyanoazanide;iron?
The IUPAC name of octasodium;cyanoazanide;iron (CID 173217772) is octasodium;cyanoazanide;iron.
What is the SMILES notation for octasodium;cyanoazanide;iron?
The canonical SMILES for octasodium;cyanoazanide;iron is N#C[NH-].N#C[NH-].N#C[NH-].N#C[NH-].N#C[NH-].[Fe].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of octasodium;cyanoazanide;iron?
The InChIKey is RSTXOZJGVRSOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/5CHN2.Fe.8Na/c5*2-1-3;;;;;;;;;/h5*2H;;;;;;;;;/q5*-1;;8*+1.
What are the key properties of octasodium;cyanoazanide;iron?
octasodium;cyanoazanide;iron has a molecular weight of 444.93 g/mol, XLogP of -21.37, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for octasodium;cyanoazanide;iron is sourced from PubChem (CID 173217772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).