5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole

C11H19ClN4 — CID 62735700

IUPAC5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole
SMILESCCC(C1CCCCC1)n1nnnc1CCl
InChIInChI=1S/C11H19ClN4/c1-2-10(9-6-4-3-5-7-9)16-11(8-12)13-14-15-16/h9-10H,2-8H2,1H3
InChIKeyFBYCKAYNUWEFGF-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.94
Rot. Bonds4

About 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole

5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole (PubChem CID 62735700) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole
PubChem CID62735700
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole
SMILESCCC(C1CCCCC1)n1nnnc1CCl
InChIInChI=1S/C11H19ClN4/c1-2-10(9-6-4-3-5-7-9)16-11(8-12)13-14-15-16/h9-10H,2-8H2,1H3
InChIKeyFBYCKAYNUWEFGF-UHFFFAOYSA-N
XLogP2.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.94
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-(1-cyclohexylpropyl)tetrazole?
The IUPAC name of 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole (CID 62735700) is 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole is CCC(C1CCCCC1)n1nnnc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole?
The InChIKey is FBYCKAYNUWEFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-2-10(9-6-4-3-5-7-9)16-11(8-12)13-14-15-16/h9-10H,2-8H2,1H3.
What are the key properties of 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole?
5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole has a molecular weight of 242.75 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(1-cyclohexylpropyl)tetrazole is sourced from PubChem (CID 62735700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).