5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole

C10H17ClN4 — CID 63996942

IUPAC5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole
SMILESCC1CCC(n2nnnc2CCl)C(C)C1
InChIInChI=1S/C10H17ClN4/c1-7-3-4-9(8(2)5-7)15-10(6-11)12-13-14-15/h7-9H,3-6H2,1-2H3
InChIKeyJDCNWFLXUJGFPQ-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.41
Rot. Bonds2

About 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole

5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole (PubChem CID 63996942) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole
PubChem CID63996942
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole
SMILESCC1CCC(n2nnnc2CCl)C(C)C1
InChIInChI=1S/C10H17ClN4/c1-7-3-4-9(8(2)5-7)15-10(6-11)12-13-14-15/h7-9H,3-6H2,1-2H3
InChIKeyJDCNWFLXUJGFPQ-UHFFFAOYSA-N
XLogP2.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.41
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-(2,4-dimethylcyclohexyl)tetrazole?
The IUPAC name of 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole (CID 63996942) is 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole is CC1CCC(n2nnnc2CCl)C(C)C1.
What is the InChIKey of 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole?
The InChIKey is JDCNWFLXUJGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-7-3-4-9(8(2)5-7)15-10(6-11)12-13-14-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole?
5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole has a molecular weight of 228.73 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2,4-dimethylcyclohexyl)tetrazole is sourced from PubChem (CID 63996942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).