5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole

C10H11ClN4O2 — CID 43134747

IUPAC5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
SMILESCOc1ccc(OC)c(-n2nnnc2CCl)c1
InChIInChI=1S/C10H11ClN4O2/c1-16-7-3-4-9(17-2)8(5-7)15-10(6-11)12-13-14-15/h3-5H,6H2,1-2H3
InChIKeyLCUNFWVFOASOHL-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.42
Rot. Bonds4

About 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole

5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole (PubChem CID 43134747) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
PubChem CID43134747
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
SMILESCOc1ccc(OC)c(-n2nnnc2CCl)c1
InChIInChI=1S/C10H11ClN4O2/c1-16-7-3-4-9(17-2)8(5-7)15-10(6-11)12-13-14-15/h3-5H,6H2,1-2H3
InChIKeyLCUNFWVFOASOHL-UHFFFAOYSA-N
XLogP1.42
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,5-dimethoxyphenyl)tetrazole?
The IUPAC name of 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole (CID 43134747) is 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole is COc1ccc(OC)c(-n2nnnc2CCl)c1.
What is the InChIKey of 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole?
The InChIKey is LCUNFWVFOASOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-16-7-3-4-9(17-2)8(5-7)15-10(6-11)12-13-14-15/h3-5H,6H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole?
5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole has a molecular weight of 254.68 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole is sourced from PubChem (CID 43134747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).