5-iodo-1-methyltetrazole

C2H3IN4 — CID 14226291

IUPAC5-iodo-1-methyltetrazole
SMILESCn1nnnc1I
InChIInChI=1S/C2H3IN4/c1-7-2(3)4-5-6-7/h1H3
InChIKeyHOTGKPZHBAAUIM-UHFFFAOYSA-N
MW209.98 g/mol
LogP-0.19
Rot. Bonds

About 5-iodo-1-methyltetrazole

5-iodo-1-methyltetrazole (PubChem CID 14226291) has the molecular formula C2H3IN4 and a molecular weight of 209.98 g/mol. Its IUPAC name is 5-iodo-1-methyltetrazole.

Molecular Properties

Compound Name5-iodo-1-methyltetrazole
PubChem CID14226291
Molecular FormulaC2H3IN4
Molecular Weight209.98 g/mol
Exact Mass209.94
IUPAC Name5-iodo-1-methyltetrazole
SMILESCn1nnnc1I
InChIInChI=1S/C2H3IN4/c1-7-2(3)4-5-6-7/h1H3
InChIKeyHOTGKPZHBAAUIM-UHFFFAOYSA-N
XLogP-0.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.98
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methyltetrazole?
The IUPAC name of 5-iodo-1-methyltetrazole (CID 14226291) is 5-iodo-1-methyltetrazole.
What is the SMILES notation for 5-iodo-1-methyltetrazole?
The canonical SMILES for 5-iodo-1-methyltetrazole is Cn1nnnc1I.
What is the InChIKey of 5-iodo-1-methyltetrazole?
The InChIKey is HOTGKPZHBAAUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3IN4/c1-7-2(3)4-5-6-7/h1H3.
What are the key properties of 5-iodo-1-methyltetrazole?
5-iodo-1-methyltetrazole has a molecular weight of 209.98 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyltetrazole is sourced from PubChem (CID 14226291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).