5-iodo-1-(4-methylcyclohexyl)tetrazole

C8H13IN4 — CID 71425663

IUPAC5-iodo-1-(4-methylcyclohexyl)tetrazole
SMILESCC1CCC(n2nnnc2I)CC1
InChIInChI=1S/C8H13IN4/c1-6-2-4-7(5-3-6)13-8(9)10-11-12-13/h6-7H,2-5H2,1H3
InChIKeyZWPCWFBKUOSSOE-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.03
Rot. Bonds1

About 5-iodo-1-(4-methylcyclohexyl)tetrazole

5-iodo-1-(4-methylcyclohexyl)tetrazole (PubChem CID 71425663) has the molecular formula C8H13IN4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-iodo-1-(4-methylcyclohexyl)tetrazole.

Molecular Properties

Compound Name5-iodo-1-(4-methylcyclohexyl)tetrazole
PubChem CID71425663
Molecular FormulaC8H13IN4
Molecular Weight292.12 g/mol
Exact Mass292.02
IUPAC Name5-iodo-1-(4-methylcyclohexyl)tetrazole
SMILESCC1CCC(n2nnnc2I)CC1
InChIInChI=1S/C8H13IN4/c1-6-2-4-7(5-3-6)13-8(9)10-11-12-13/h6-7H,2-5H2,1H3
InChIKeyZWPCWFBKUOSSOE-UHFFFAOYSA-N
XLogP2.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.03
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-(4-methylcyclohexyl)tetrazole?
The IUPAC name of 5-iodo-1-(4-methylcyclohexyl)tetrazole (CID 71425663) is 5-iodo-1-(4-methylcyclohexyl)tetrazole.
What is the SMILES notation for 5-iodo-1-(4-methylcyclohexyl)tetrazole?
The canonical SMILES for 5-iodo-1-(4-methylcyclohexyl)tetrazole is CC1CCC(n2nnnc2I)CC1.
What is the InChIKey of 5-iodo-1-(4-methylcyclohexyl)tetrazole?
The InChIKey is ZWPCWFBKUOSSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4/c1-6-2-4-7(5-3-6)13-8(9)10-11-12-13/h6-7H,2-5H2,1H3.
What are the key properties of 5-iodo-1-(4-methylcyclohexyl)tetrazole?
5-iodo-1-(4-methylcyclohexyl)tetrazole has a molecular weight of 292.12 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(4-methylcyclohexyl)tetrazole is sourced from PubChem (CID 71425663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).