5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole

C11H19ClN4 — CID 103084562

IUPAC5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole
SMILESCCC1CCCC(n2nnnc2C(C)Cl)C1
InChIInChI=1S/C11H19ClN4/c1-3-9-5-4-6-10(7-9)16-11(8(2)12)13-14-15-16/h8-10H,3-7H2,1-2H3
InChIKeyUCZQONHZANPRBI-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.11
Rot. Bonds3

About 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole

5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole (PubChem CID 103084562) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole
PubChem CID103084562
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole
SMILESCCC1CCCC(n2nnnc2C(C)Cl)C1
InChIInChI=1S/C11H19ClN4/c1-3-9-5-4-6-10(7-9)16-11(8(2)12)13-14-15-16/h8-10H,3-7H2,1-2H3
InChIKeyUCZQONHZANPRBI-UHFFFAOYSA-N
XLogP3.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.11
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

5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole
CID 64743405
5-(1-chlorobutyl)-1-cyclohexyltetrazole
CID 89395853
1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine
CID 79543288
1-(1-cyclohexyltetrazol-5-yl)butan-1-ol
CID 121220708
3-[1-(3-ethylcyclohexyl)tetrazol-5-yl]-4-fluoroaniline
CID 64743598
1-[1-(3-ethylcyclohexyl)triazol-4-yl]ethanamine
CID 114420063
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 861355
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
CID 861340
3-(3-ethylcyclohexyl)triazolo[4,5-d]pyrimidin-7-amine
CID 139296107
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
CID 3208531
5-(1-chloroethyl)-N-(3-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106957936

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole (CID 103084562) is 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole is CCC1CCCC(n2nnnc2C(C)Cl)C1.
What is the InChIKey of 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole?
The InChIKey is UCZQONHZANPRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-3-9-5-4-6-10(7-9)16-11(8(2)12)13-14-15-16/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole?
5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole has a molecular weight of 242.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-(3-ethylcyclohexyl)tetrazole is sourced from PubChem (CID 103084562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).