5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole

C10H11ClN4 — CID 43134788

IUPAC5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole
SMILESCc1cccc(C)c1-n1nnnc1CCl
InChIInChI=1S/C10H11ClN4/c1-7-4-3-5-8(2)10(7)15-9(6-11)12-13-14-15/h3-5H,6H2,1-2H3
InChIKeyJQSXZNDTNJEIBA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.02
Rot. Bonds2

About 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole

5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole (PubChem CID 43134788) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole
PubChem CID43134788
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole
SMILESCc1cccc(C)c1-n1nnnc1CCl
InChIInChI=1S/C10H11ClN4/c1-7-4-3-5-8(2)10(7)15-9(6-11)12-13-14-15/h3-5H,6H2,1-2H3
InChIKeyJQSXZNDTNJEIBA-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.02
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-(2,6-dimethylphenyl)tetrazole?
The IUPAC name of 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole (CID 43134788) is 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole is Cc1cccc(C)c1-n1nnnc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole?
The InChIKey is JQSXZNDTNJEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-4-3-5-8(2)10(7)15-9(6-11)12-13-14-15/h3-5H,6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole?
5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole has a molecular weight of 222.68 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole is sourced from PubChem (CID 43134788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).