2,4-diiodo-1,3,5-triazine

C3HI2N3 — CID 91140506

IUPAC2,4-diiodo-1,3,5-triazine
SMILESIc1ncnc(I)n1
InChIInChI=1S/C3HI2N3/c4-2-6-1-7-3(5)8-2/h1H
InChIKeyGQTXEVSACJCTOV-UHFFFAOYSA-N
MW332.87 g/mol
LogP1.08
Rot. Bonds

About 2,4-diiodo-1,3,5-triazine

2,4-diiodo-1,3,5-triazine (PubChem CID 91140506) has the molecular formula C3HI2N3 and a molecular weight of 332.87 g/mol. Its IUPAC name is 2,4-diiodo-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diiodo-1,3,5-triazine
PubChem CID91140506
Molecular FormulaC3HI2N3
Molecular Weight332.87 g/mol
Exact Mass332.83
IUPAC Name2,4-diiodo-1,3,5-triazine
SMILESIc1ncnc(I)n1
InChIInChI=1S/C3HI2N3/c4-2-6-1-7-3(5)8-2/h1H
InChIKeyGQTXEVSACJCTOV-UHFFFAOYSA-N
XLogP1.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.87
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-1,3,5-triazine?
The IUPAC name of 2,4-diiodo-1,3,5-triazine (CID 91140506) is 2,4-diiodo-1,3,5-triazine.
What is the SMILES notation for 2,4-diiodo-1,3,5-triazine?
The canonical SMILES for 2,4-diiodo-1,3,5-triazine is Ic1ncnc(I)n1.
What is the InChIKey of 2,4-diiodo-1,3,5-triazine?
The InChIKey is GQTXEVSACJCTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HI2N3/c4-2-6-1-7-3(5)8-2/h1H.
What are the key properties of 2,4-diiodo-1,3,5-triazine?
2,4-diiodo-1,3,5-triazine has a molecular weight of 332.87 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 2,4-diiodo-1,3,5-triazine is sourced from PubChem (CID 91140506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).