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

C10H17ClN4 — CID 64743405

IUPAC5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole
SMILESCCC1CCCC(n2nnnc2CCl)C1
InChIInChI=1S/C10H17ClN4/c1-2-8-4-3-5-9(6-8)15-10(7-11)12-13-14-15/h8-9H,2-7H2,1H3
InChIKeyRMKWWAURNMUGBO-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.55
Rot. Bonds3

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

5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole (PubChem CID 64743405) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole
PubChem CID64743405
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole
SMILESCCC1CCCC(n2nnnc2CCl)C1
InChIInChI=1S/C10H17ClN4/c1-2-8-4-3-5-9(6-8)15-10(7-11)12-13-14-15/h8-9H,2-7H2,1H3
InChIKeyRMKWWAURNMUGBO-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.55
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-(3-ethylcyclohexyl)tetrazole?
The IUPAC name of 5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole (CID 64743405) is 5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole is CCC1CCCC(n2nnnc2CCl)C1.
What is the InChIKey of 5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole?
The InChIKey is RMKWWAURNMUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-2-8-4-3-5-9(6-8)15-10(7-11)12-13-14-15/h8-9H,2-7H2,1H3.
What are the key properties of 5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole?
5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole has a molecular weight of 228.73 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(3-ethylcyclohexyl)tetrazole is sourced from PubChem (CID 64743405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).