5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole

C9H15ClN4 — CID 62736611

IUPAC5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole
SMILESCC1CCCCC1n1nnnc1CCl
InChIInChI=1S/C9H15ClN4/c1-7-4-2-3-5-8(7)14-9(6-10)11-12-13-14/h7-8H,2-6H2,1H3
InChIKeyDJLXLXTZBAIYDJ-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.16
Rot. Bonds2

About 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole

5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole (PubChem CID 62736611) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole
PubChem CID62736611
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole
SMILESCC1CCCCC1n1nnnc1CCl
InChIInChI=1S/C9H15ClN4/c1-7-4-2-3-5-8(7)14-9(6-10)11-12-13-14/h7-8H,2-6H2,1H3
InChIKeyDJLXLXTZBAIYDJ-UHFFFAOYSA-N
XLogP2.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole?
The IUPAC name of 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole (CID 62736611) is 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole is CC1CCCCC1n1nnnc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole?
The InChIKey is DJLXLXTZBAIYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-7-4-2-3-5-8(7)14-9(6-10)11-12-13-14/h7-8H,2-6H2,1H3.
What are the key properties of 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole?
5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole has a molecular weight of 214.70 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole is sourced from PubChem (CID 62736611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).