1-benzyl-4-(2-phenylethyl)triazole

C17H17N3 — CID 56666792

IUPAC1-benzyl-4-(2-phenylethyl)triazole
SMILESc1ccc(CCc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-17-14-20(19-18-17)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyOKNIILAEBUQSER-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.11
Rot. Bonds5

About 1-benzyl-4-(2-phenylethyl)triazole

1-benzyl-4-(2-phenylethyl)triazole (PubChem CID 56666792) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-4-(2-phenylethyl)triazole.

Molecular Properties

Compound Name1-benzyl-4-(2-phenylethyl)triazole
PubChem CID56666792
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-benzyl-4-(2-phenylethyl)triazole
SMILESc1ccc(CCc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-17-14-20(19-18-17)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyOKNIILAEBUQSER-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
1-benzyl-4-[2-(3,4-difluorophenyl)ethyl]triazole
CID 112719016
1,4-dibenzyltriazole
CID 56663361
1-benzyl-4-pentyltriazole
CID 71590860
1-benzyl-4-(2-thiophen-2-ylethyl)triazole
CID 112718862
2-[4-[4-[2-(1-benzyltriazol-4-yl)ethyl]phenyl]phenyl]-2-methylpropanoic acid
CID 90047737
4-(2-chloroethyl)-1-(2-phenylethyl)triazole
CID 62401597
1-benzyl-4-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]triazole
CID 112718326
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-phenylethyl)triazole?
The IUPAC name of 1-benzyl-4-(2-phenylethyl)triazole (CID 56666792) is 1-benzyl-4-(2-phenylethyl)triazole.
What is the SMILES notation for 1-benzyl-4-(2-phenylethyl)triazole?
The canonical SMILES for 1-benzyl-4-(2-phenylethyl)triazole is c1ccc(CCc2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-(2-phenylethyl)triazole?
The InChIKey is OKNIILAEBUQSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-17-14-20(19-18-17)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2.
What are the key properties of 1-benzyl-4-(2-phenylethyl)triazole?
1-benzyl-4-(2-phenylethyl)triazole has a molecular weight of 263.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-phenylethyl)triazole is sourced from PubChem (CID 56666792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).