iron(2+);pyrazine

C8H8FeN4+2 — CID 175741180

IUPACiron(2+);pyrazine
SMILES[Fe+2].c1cnccn1.c1cnccn1
InChIInChI=1S/2C4H4N2.Fe/c2*1-2-6-4-3-5-1;/h2*1-4H;/q;;+2
InChIKeySXFCTNTUESKBKK-UHFFFAOYSA-N
MW216.03 g/mol
LogP0.95
Rot. Bonds

About iron(2+);pyrazine

iron(2+);pyrazine (PubChem CID 175741180) has the molecular formula C8H8FeN4+2 and a molecular weight of 216.03 g/mol. Its IUPAC name is iron(2+);pyrazine.

Molecular Properties

Compound Nameiron(2+);pyrazine
PubChem CID175741180
Molecular FormulaC8H8FeN4+2
Molecular Weight216.03 g/mol
Exact Mass216.01
IUPAC Nameiron(2+);pyrazine
SMILES[Fe+2].c1cnccn1.c1cnccn1
InChIInChI=1S/2C4H4N2.Fe/c2*1-2-6-4-3-5-1;/h2*1-4H;/q;;+2
InChIKeySXFCTNTUESKBKK-UHFFFAOYSA-N
XLogP0.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

manganese;pyrazine
CID 159574083
azane;pyrazine;hydrate
CID 172838555
molecular hydrogen;pyrazine
CID 174745965
ethane;pyrazine
CID 91065767
pyrazine;1,3,5-triazine
CID 69369333
molecular nitrogen;pyrazine;hydrate
CID 175104892
2,2-dimethylpropane;pyrazine
CID 143896463
pyrazine;bis(pyridine)
CID 159366306
ethanol;pyrazine
CID 68904554
pyridine
CID 67755510
pyridine
CID 160878650
1,5-diazecine
CID 53440348

Frequently Asked Questions

What is the IUPAC name of iron(2+);pyrazine?
The IUPAC name of iron(2+);pyrazine (CID 175741180) is iron(2+);pyrazine.
What is the SMILES notation for iron(2+);pyrazine?
The canonical SMILES for iron(2+);pyrazine is [Fe+2].c1cnccn1.c1cnccn1.
What is the InChIKey of iron(2+);pyrazine?
The InChIKey is SXFCTNTUESKBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2.Fe/c2*1-2-6-4-3-5-1;/h2*1-4H;/q;;+2.
What are the key properties of iron(2+);pyrazine?
iron(2+);pyrazine has a molecular weight of 216.03 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);pyrazine is sourced from PubChem (CID 175741180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).