5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole

C10H17ClN4 — CID 62736064

IUPAC5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole
SMILESCC1CCCCC1Cn1nnnc1CCl
InChIInChI=1S/C10H17ClN4/c1-8-4-2-3-5-9(8)7-15-10(6-11)12-13-14-15/h8-9H,2-7H2,1H3
InChIKeyVJIBDLWVQLRUOE-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.24
Rot. Bonds3

About 5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole

5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole (PubChem CID 62736064) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole
PubChem CID62736064
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole
SMILESCC1CCCCC1Cn1nnnc1CCl
InChIInChI=1S/C10H17ClN4/c1-8-4-2-3-5-9(8)7-15-10(6-11)12-13-14-15/h8-9H,2-7H2,1H3
InChIKeyVJIBDLWVQLRUOE-UHFFFAOYSA-N
XLogP2.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.24
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)methyl]tetrazole?
The IUPAC name of 5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole (CID 62736064) is 5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole is CC1CCCCC1Cn1nnnc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole?
The InChIKey is VJIBDLWVQLRUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-8-4-2-3-5-9(8)7-15-10(6-11)12-13-14-15/h8-9H,2-7H2,1H3.
What are the key properties of 5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole?
5-(chloromethyl)-1-[(2-methylcyclohexyl)methyl]tetrazole has a molecular weight of 228.73 g/mol, XLogP of 2.24, 3 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)methyl]tetrazole is sourced from PubChem (CID 62736064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).