iron;triazine

C3H3FeN3 — CID 70442701

IUPACiron;triazine
SMILES[Fe].c1cnnnc1
InChIInChI=1S/C3H3N3.Fe/c1-2-4-6-5-3-1;/h1-3H;
InChIKeyRNRZILWYJWUQLH-UHFFFAOYSA-N
MW136.92 g/mol
LogP-0.13
Rot. Bonds

About iron;triazine

iron;triazine (PubChem CID 70442701) has the molecular formula C3H3FeN3 and a molecular weight of 136.92 g/mol. Its IUPAC name is iron;triazine.

Molecular Properties

Compound Nameiron;triazine
PubChem CID70442701
Molecular FormulaC3H3FeN3
Molecular Weight136.92 g/mol
Exact Mass136.97
IUPAC Nameiron;triazine
SMILES[Fe].c1cnnnc1
InChIInChI=1S/C3H3N3.Fe/c1-2-4-6-5-3-1;/h1-3H;
InChIKeyRNRZILWYJWUQLH-UHFFFAOYSA-N
XLogP-0.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.92
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;triazine?
The IUPAC name of iron;triazine (CID 70442701) is iron;triazine.
What is the SMILES notation for iron;triazine?
The canonical SMILES for iron;triazine is [Fe].c1cnnnc1.
What is the InChIKey of iron;triazine?
The InChIKey is RNRZILWYJWUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.Fe/c1-2-4-6-5-3-1;/h1-3H;.
What are the key properties of iron;triazine?
iron;triazine has a molecular weight of 136.92 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iron;triazine is sourced from PubChem (CID 70442701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).