5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole

C11H19ClN4 — CID 62738102

IUPAC5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole
SMILESCCC1CCC(Cn2nnnc2CCl)CC1
InChIInChI=1S/C11H19ClN4/c1-2-9-3-5-10(6-4-9)8-16-11(7-12)13-14-15-16/h9-10H,2-8H2,1H3
InChIKeyWJIMYYYZNKJZFJ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.63
Rot. Bonds4

About 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole

5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole (PubChem CID 62738102) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole
PubChem CID62738102
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole
SMILESCCC1CCC(Cn2nnnc2CCl)CC1
InChIInChI=1S/C11H19ClN4/c1-2-9-3-5-10(6-4-9)8-16-11(7-12)13-14-15-16/h9-10H,2-8H2,1H3
InChIKeyWJIMYYYZNKJZFJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-[(4-ethylcyclohexyl)methyl]tetrazole?
The IUPAC name of 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole (CID 62738102) is 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole is CCC1CCC(Cn2nnnc2CCl)CC1.
What is the InChIKey of 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole?
The InChIKey is WJIMYYYZNKJZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-2-9-3-5-10(6-4-9)8-16-11(7-12)13-14-15-16/h9-10H,2-8H2,1H3.
What are the key properties of 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole?
5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole has a molecular weight of 242.75 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole is sourced from PubChem (CID 62738102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).