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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Related Compounds

1,5-Diphenyl-1H-1,2,3-triazole
CID 281048
1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
1-methyl-4-phenyl-1H-1,2,3-triazole
CID 11309663
4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
CID 56949927
4-[1-(4-iodophenyl)triazol-4-yl]-N,N-dimethylaniline
CID 16736645
N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160
4-Phenyl-1-[(1-phenyltriazol-4-yl)methyl]piperidine
CID 44419066
[4-[(4-Phenyltriazol-1-yl)methyl]phenyl]boronic acid
CID 44518171
1-[4-[(S)-(benzylamino)-cyclohexylmethyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 69925414
(3R)-3-(4-phenyltriazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 70674874
(s)-3-(4-(4-Fluorophenyl)-1h-1,2,3-triazol-1-yl)quinuclidine
CID 70675110

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).