iron;azide;hydrate

H2Fe2N3O- — CID 50912718

IUPACiron;azide;hydrate
SMILESO.[Fe].[Fe].[N-]=[N+]=[N-]
InChIInChI=1S/2Fe.N3.H2O/c;;1-3-2;/h;;;1H2/q;;-1;
InChIKeyRZHWLGRUSMSXRP-UHFFFAOYSA-N
MW171.73 g/mol
LogP0.04
Rot. Bonds

About iron;azide;hydrate

iron;azide;hydrate (PubChem CID 50912718) has the molecular formula H2Fe2N3O- and a molecular weight of 171.73 g/mol. Its IUPAC name is iron;azide;hydrate.

Molecular Properties

Compound Nameiron;azide;hydrate
PubChem CID50912718
Molecular FormulaH2Fe2N3O-
Molecular Weight171.73 g/mol
Exact Mass171.89
IUPAC Nameiron;azide;hydrate
SMILESO.[Fe].[Fe].[N-]=[N+]=[N-]
InChIInChI=1S/2Fe.N3.H2O/c;;1-3-2;/h;;;1H2/q;;-1;
InChIKeyRZHWLGRUSMSXRP-UHFFFAOYSA-N
XLogP0.04
TPSA90.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.73
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron;azide;hydrate?
The IUPAC name of iron;azide;hydrate (CID 50912718) is iron;azide;hydrate.
What is the SMILES notation for iron;azide;hydrate?
The canonical SMILES for iron;azide;hydrate is O.[Fe].[Fe].[N-]=[N+]=[N-].
What is the InChIKey of iron;azide;hydrate?
The InChIKey is RZHWLGRUSMSXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2Fe.N3.H2O/c;;1-3-2;/h;;;1H2/q;;-1;.
What are the key properties of iron;azide;hydrate?
iron;azide;hydrate has a molecular weight of 171.73 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;azide;hydrate is sourced from PubChem (CID 50912718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).