1-benzyl-4-cyclohexyltriazole

C15H19N3 — CID 54772021

IUPAC1-benzyl-4-cyclohexyltriazole
SMILESc1ccc(Cn2cc(C3CCCCC3)nn2)cc1
InChIInChI=1S/C15H19N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2
InChIKeyZLDOZAPRKMPYPB-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.37
Rot. Bonds3

About 1-benzyl-4-cyclohexyltriazole

1-benzyl-4-cyclohexyltriazole (PubChem CID 54772021) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-benzyl-4-cyclohexyltriazole.

Molecular Properties

Compound Name1-benzyl-4-cyclohexyltriazole
PubChem CID54772021
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-benzyl-4-cyclohexyltriazole
SMILESc1ccc(Cn2cc(C3CCCCC3)nn2)cc1
InChIInChI=1S/C15H19N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2
InChIKeyZLDOZAPRKMPYPB-UHFFFAOYSA-N
XLogP3.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-cyclohexyltriazole?
The IUPAC name of 1-benzyl-4-cyclohexyltriazole (CID 54772021) is 1-benzyl-4-cyclohexyltriazole.
What is the SMILES notation for 1-benzyl-4-cyclohexyltriazole?
The canonical SMILES for 1-benzyl-4-cyclohexyltriazole is c1ccc(Cn2cc(C3CCCCC3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-cyclohexyltriazole?
The InChIKey is ZLDOZAPRKMPYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2.
What are the key properties of 1-benzyl-4-cyclohexyltriazole?
1-benzyl-4-cyclohexyltriazole has a molecular weight of 241.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-cyclohexyltriazole is sourced from PubChem (CID 54772021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).