1-(5-chloropentyl)-5-cyclohexyltetrazole

C12H21ClN4 — CID 154638268

IUPAC1-(5-chloropentyl)-5-cyclohexyltetrazole
SMILESClCCCCCn1nnnc1C1CCCCC1
InChIInChI=1S/C12H21ClN4/c13-9-5-2-6-10-17-12(14-15-16-17)11-7-3-1-4-8-11/h11H,1-10H2
InChIKeyVGWGZAHLIOJJKI-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.13
Rot. Bonds6

About 1-(5-chloropentyl)-5-cyclohexyltetrazole

1-(5-chloropentyl)-5-cyclohexyltetrazole (PubChem CID 154638268) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(5-chloropentyl)-5-cyclohexyltetrazole.

Molecular Properties

Compound Name1-(5-chloropentyl)-5-cyclohexyltetrazole
PubChem CID154638268
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name1-(5-chloropentyl)-5-cyclohexyltetrazole
SMILESClCCCCCn1nnnc1C1CCCCC1
InChIInChI=1S/C12H21ClN4/c13-9-5-2-6-10-17-12(14-15-16-17)11-7-3-1-4-8-11/h11H,1-10H2
InChIKeyVGWGZAHLIOJJKI-UHFFFAOYSA-N
XLogP3.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-5-cyclohexyltetrazole?
The IUPAC name of 1-(5-chloropentyl)-5-cyclohexyltetrazole (CID 154638268) is 1-(5-chloropentyl)-5-cyclohexyltetrazole.
What is the SMILES notation for 1-(5-chloropentyl)-5-cyclohexyltetrazole?
The canonical SMILES for 1-(5-chloropentyl)-5-cyclohexyltetrazole is ClCCCCCn1nnnc1C1CCCCC1.
What is the InChIKey of 1-(5-chloropentyl)-5-cyclohexyltetrazole?
The InChIKey is VGWGZAHLIOJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c13-9-5-2-6-10-17-12(14-15-16-17)11-7-3-1-4-8-11/h11H,1-10H2.
What are the key properties of 1-(5-chloropentyl)-5-cyclohexyltetrazole?
1-(5-chloropentyl)-5-cyclohexyltetrazole has a molecular weight of 256.78 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-5-cyclohexyltetrazole is sourced from PubChem (CID 154638268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).