1,4-dibenzyltriazole

C16H15N3 — CID 56663361

IUPAC1,4-dibenzyltriazole
SMILESc1ccc(Cc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-3-7-14(8-4-1)11-16-13-19(18-17-16)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyUQFYTTMJPYLAJY-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.92
Rot. Bonds4

About 1,4-dibenzyltriazole

1,4-dibenzyltriazole (PubChem CID 56663361) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1,4-dibenzyltriazole.

Molecular Properties

Compound Name1,4-dibenzyltriazole
PubChem CID56663361
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1,4-dibenzyltriazole
SMILESc1ccc(Cc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C16H15N3/c1-3-7-14(8-4-1)11-16-13-19(18-17-16)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyUQFYTTMJPYLAJY-UHFFFAOYSA-N
XLogP2.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
1-(4-benzyltriazol-1-yl)-N,N-bis[(4-benzyltriazol-1-yl)methyl]methanamine
CID 102145799
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
4-benzyl-1-(methylsulfanylmethyl)triazole
CID 134860411
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
1-benzyl-4-pentyltriazole
CID 71590860
5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride
CID 67064307
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
1-benzyl-4-fluorotriazole
CID 102109152
4-(bromomethyl)-1-[(4-phenylphenyl)methyl]triazole
CID 62399723
N,N-bis[(1-benzyltriazol-4-yl)methyl]propan-1-amine
CID 118387790

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyltriazole?
The IUPAC name of 1,4-dibenzyltriazole (CID 56663361) is 1,4-dibenzyltriazole.
What is the SMILES notation for 1,4-dibenzyltriazole?
The canonical SMILES for 1,4-dibenzyltriazole is c1ccc(Cc2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1,4-dibenzyltriazole?
The InChIKey is UQFYTTMJPYLAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-3-7-14(8-4-1)11-16-13-19(18-17-16)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2.
What are the key properties of 1,4-dibenzyltriazole?
1,4-dibenzyltriazole has a molecular weight of 249.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyltriazole is sourced from PubChem (CID 56663361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).