5-(1-chloroethyl)-1-methyltetrazole

C4H7ClN4 — CID 75525698

IUPAC5-(1-chloroethyl)-1-methyltetrazole
SMILESCC(Cl)c1nnnn1C
InChIInChI=1S/C4H7ClN4/c1-3(5)4-6-7-8-9(4)2/h3H,1-2H3
InChIKeyCWEHTQHLQKTEKX-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.51
Rot. Bonds1

About 5-(1-chloroethyl)-1-methyltetrazole

5-(1-chloroethyl)-1-methyltetrazole (PubChem CID 75525698) has the molecular formula C4H7ClN4 and a molecular weight of 146.58 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-methyltetrazole
PubChem CID75525698
Molecular FormulaC4H7ClN4
Molecular Weight146.58 g/mol
Exact Mass146.04
IUPAC Name5-(1-chloroethyl)-1-methyltetrazole
SMILESCC(Cl)c1nnnn1C
InChIInChI=1S/C4H7ClN4/c1-3(5)4-6-7-8-9(4)2/h3H,1-2H3
InChIKeyCWEHTQHLQKTEKX-UHFFFAOYSA-N
XLogP0.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.51
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-(1-chloroethyl)-1-methyltetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-methyltetrazole (CID 75525698) is 5-(1-chloroethyl)-1-methyltetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-methyltetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-methyltetrazole is CC(Cl)c1nnnn1C.
What is the InChIKey of 5-(1-chloroethyl)-1-methyltetrazole?
The InChIKey is CWEHTQHLQKTEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN4/c1-3(5)4-6-7-8-9(4)2/h3H,1-2H3.
What are the key properties of 5-(1-chloroethyl)-1-methyltetrazole?
5-(1-chloroethyl)-1-methyltetrazole has a molecular weight of 146.58 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-methyltetrazole is sourced from PubChem (CID 75525698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).