1,4-diiodotriazole

C2HI2N3 — CID 23314143

IUPAC1,4-diiodotriazole
SMILESIc1cn(I)nn1
InChIInChI=1S/C2HI2N3/c3-2-1-7(4)6-5-2/h1H
InChIKeyLAPFSSMHDRDDJF-UHFFFAOYSA-N
MW320.86 g/mol
LogP1.08
Rot. Bonds

About 1,4-diiodotriazole

1,4-diiodotriazole (PubChem CID 23314143) has the molecular formula C2HI2N3 and a molecular weight of 320.86 g/mol. Its IUPAC name is 1,4-diiodotriazole.

Molecular Properties

Compound Name1,4-diiodotriazole
PubChem CID23314143
Molecular FormulaC2HI2N3
Molecular Weight320.86 g/mol
Exact Mass320.83
IUPAC Name1,4-diiodotriazole
SMILESIc1cn(I)nn1
InChIInChI=1S/C2HI2N3/c3-2-1-7(4)6-5-2/h1H
InChIKeyLAPFSSMHDRDDJF-UHFFFAOYSA-N
XLogP1.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,4-diiodotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-diiodotriazole?
The IUPAC name of 1,4-diiodotriazole (CID 23314143) is 1,4-diiodotriazole.
What is the SMILES notation for 1,4-diiodotriazole?
The canonical SMILES for 1,4-diiodotriazole is Ic1cn(I)nn1.
What is the InChIKey of 1,4-diiodotriazole?
The InChIKey is LAPFSSMHDRDDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HI2N3/c3-2-1-7(4)6-5-2/h1H.
What are the key properties of 1,4-diiodotriazole?
1,4-diiodotriazole has a molecular weight of 320.86 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diiodotriazole is sourced from PubChem (CID 23314143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).