CID 25242014

C12H12FeN6+2 — CID 25242014

IUPAC—
SMILES[Fe+2].[N-]=[N+]=NC[C]1[CH][CH][CH][CH]1.[N-]=[N+]=NC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/2C6H6N3.Fe/c2*7-9-8-5-6-3-1-2-4-6;/h2*1-4H,5H2;/q;;+2
InChIKeyUSGOBLVXTRXKNA-UHFFFAOYSA-N
MW296.12 g/mol
LogP3.40
Rot. Bonds4

About CID 25242014

CID 25242014 (PubChem CID 25242014) has the molecular formula C12H12FeN6+2 and a molecular weight of 296.12 g/mol.

Molecular Properties

Compound NameCID 25242014
PubChem CID25242014
Molecular FormulaC12H12FeN6+2
Molecular Weight296.12 g/mol
Exact Mass296.05
IUPAC Name—
SMILES[Fe+2].[N-]=[N+]=NC[C]1[CH][CH][CH][CH]1.[N-]=[N+]=NC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/2C6H6N3.Fe/c2*7-9-8-5-6-3-1-2-4-6;/h2*1-4H,5H2;/q;;+2
InChIKeyUSGOBLVXTRXKNA-UHFFFAOYSA-N
XLogP3.40
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 25242014?
The IUPAC name of CID 25242014 (CID 25242014) is not available.
What is the SMILES notation for CID 25242014?
The canonical SMILES for CID 25242014 is [Fe+2].[N-]=[N+]=NC[C]1[CH][CH][CH][CH]1.[N-]=[N+]=NC[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 25242014?
The InChIKey is USGOBLVXTRXKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6N3.Fe/c2*7-9-8-5-6-3-1-2-4-6;/h2*1-4H,5H2;/q;;+2.
What are the key properties of CID 25242014?
CID 25242014 has a molecular weight of 296.12 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25242014 is sourced from PubChem (CID 25242014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).