4-iodotriazine

C3H2IN3 — CID 19796202

IUPAC4-iodotriazine
SMILESIc1ccnnn1
InChIInChI=1S/C3H2IN3/c4-3-1-2-5-7-6-3/h1-2H
InChIKeyOMBPDLZSXJJROQ-UHFFFAOYSA-N
MW206.97 g/mol
LogP0.48
Rot. Bonds

About 4-iodotriazine

4-iodotriazine (PubChem CID 19796202) has the molecular formula C3H2IN3 and a molecular weight of 206.97 g/mol. Its IUPAC name is 4-iodotriazine.

Molecular Properties

Compound Name4-iodotriazine
PubChem CID19796202
Molecular FormulaC3H2IN3
Molecular Weight206.97 g/mol
Exact Mass206.93
IUPAC Name4-iodotriazine
SMILESIc1ccnnn1
InChIInChI=1S/C3H2IN3/c4-3-1-2-5-7-6-3/h1-2H
InChIKeyOMBPDLZSXJJROQ-UHFFFAOYSA-N
XLogP0.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.97
LogP ≤ 50.48
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 4-iodotriazine?
The IUPAC name of 4-iodotriazine (CID 19796202) is 4-iodotriazine.
What is the SMILES notation for 4-iodotriazine?
The canonical SMILES for 4-iodotriazine is Ic1ccnnn1.
What is the InChIKey of 4-iodotriazine?
The InChIKey is OMBPDLZSXJJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2IN3/c4-3-1-2-5-7-6-3/h1-2H.
What are the key properties of 4-iodotriazine?
4-iodotriazine has a molecular weight of 206.97 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodotriazine is sourced from PubChem (CID 19796202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).