triazin-1-ium iodide

C3H4IN3 — CID 18357672

IUPACtriazin-1-ium iodide
SMILES[I-].c1cnn[nH+]c1
InChIInChI=1S/C3H3N3.HI/c1-2-4-6-5-3-1;/h1-3H;1H
InChIKeyOKZBRRZIRWAPTN-UHFFFAOYSA-N
MW208.99 g/mol
LogP-3.71
Rot. Bonds

About triazin-1-ium iodide

triazin-1-ium iodide (PubChem CID 18357672) has the molecular formula C3H4IN3 and a molecular weight of 208.99 g/mol. Its IUPAC name is triazin-1-ium iodide.

Molecular Properties

Compound Nametriazin-1-ium iodide
PubChem CID18357672
Molecular FormulaC3H4IN3
Molecular Weight208.99 g/mol
Exact Mass208.94
IUPAC Nametriazin-1-ium iodide
SMILES[I-].c1cnn[nH+]c1
InChIInChI=1S/C3H3N3.HI/c1-2-4-6-5-3-1;/h1-3H;1H
InChIKeyOKZBRRZIRWAPTN-UHFFFAOYSA-N
XLogP-3.71
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.99
LogP ≤ 5-3.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triazin-1-ium iodide?
The IUPAC name of triazin-1-ium iodide (CID 18357672) is triazin-1-ium iodide.
What is the SMILES notation for triazin-1-ium iodide?
The canonical SMILES for triazin-1-ium iodide is [I-].c1cnn[nH+]c1.
What is the InChIKey of triazin-1-ium iodide?
The InChIKey is OKZBRRZIRWAPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.HI/c1-2-4-6-5-3-1;/h1-3H;1H.
What are the key properties of triazin-1-ium iodide?
triazin-1-ium iodide has a molecular weight of 208.99 g/mol, XLogP of -3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triazin-1-ium iodide is sourced from PubChem (CID 18357672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).