5-(1-chlorobutyl)-1-cyclohexyltetrazole

C11H19ClN4 — CID 89395853

IUPAC5-(1-chlorobutyl)-1-cyclohexyltetrazole
SMILESCCCC(Cl)c1nnnn1C1CCCCC1
InChIInChI=1S/C11H19ClN4/c1-2-6-10(12)11-13-14-15-16(11)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3
InChIKeyUUERJTRQTGBKEE-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.26
Rot. Bonds4

About 5-(1-chlorobutyl)-1-cyclohexyltetrazole

5-(1-chlorobutyl)-1-cyclohexyltetrazole (PubChem CID 89395853) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-(1-chlorobutyl)-1-cyclohexyltetrazole.

Molecular Properties

Compound Name5-(1-chlorobutyl)-1-cyclohexyltetrazole
PubChem CID89395853
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name5-(1-chlorobutyl)-1-cyclohexyltetrazole
SMILESCCCC(Cl)c1nnnn1C1CCCCC1
InChIInChI=1S/C11H19ClN4/c1-2-6-10(12)11-13-14-15-16(11)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3
InChIKeyUUERJTRQTGBKEE-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclohexyltetrazol-5-yl)butan-1-ol
CID 121220708
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium
CID 7383587
1-cyclohexyl-4-[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]piperazine-1,4-diium
CID 7383721
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)pentyl]-4-cyclopentylpiperazine
CID 7383612
5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole
CID 103084562
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
CID 3208531
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
1-[(3S)-3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-methylamino]methyl]pyrrolidin-1-yl]ethanone
CID 99828975
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
CID 7224059
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 861355
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
CID 861340
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208545

Frequently Asked Questions

What is the IUPAC name of 5-(1-chlorobutyl)-1-cyclohexyltetrazole?
The IUPAC name of 5-(1-chlorobutyl)-1-cyclohexyltetrazole (CID 89395853) is 5-(1-chlorobutyl)-1-cyclohexyltetrazole.
What is the SMILES notation for 5-(1-chlorobutyl)-1-cyclohexyltetrazole?
The canonical SMILES for 5-(1-chlorobutyl)-1-cyclohexyltetrazole is CCCC(Cl)c1nnnn1C1CCCCC1.
What is the InChIKey of 5-(1-chlorobutyl)-1-cyclohexyltetrazole?
The InChIKey is UUERJTRQTGBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-2-6-10(12)11-13-14-15-16(11)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3.
What are the key properties of 5-(1-chlorobutyl)-1-cyclohexyltetrazole?
5-(1-chlorobutyl)-1-cyclohexyltetrazole has a molecular weight of 242.75 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chlorobutyl)-1-cyclohexyltetrazole is sourced from PubChem (CID 89395853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).