1-(1-benzyl-5-phenyltriazol-4-yl)ethanone

C17H15N3O — CID 14910608

IUPAC1-(1-benzyl-5-phenyltriazol-4-yl)ethanone
SMILESCC(=O)c1nnn(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-13(21)16-17(15-10-6-3-7-11-15)20(19-18-16)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyVEYBKOXACWNJBF-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.20
Rot. Bonds4

About 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone

1-(1-benzyl-5-phenyltriazol-4-yl)ethanone (PubChem CID 14910608) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-5-phenyltriazol-4-yl)ethanone
PubChem CID14910608
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-(1-benzyl-5-phenyltriazol-4-yl)ethanone
SMILESCC(=O)c1nnn(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H15N3O/c1-13(21)16-17(15-10-6-3-7-11-15)20(19-18-16)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyVEYBKOXACWNJBF-UHFFFAOYSA-N
XLogP3.20
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone (CID 14910608) is 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone is CC(=O)c1nnn(Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone?
The InChIKey is VEYBKOXACWNJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13(21)16-17(15-10-6-3-7-11-15)20(19-18-16)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone?
1-(1-benzyl-5-phenyltriazol-4-yl)ethanone has a molecular weight of 277.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-phenyltriazol-4-yl)ethanone is sourced from PubChem (CID 14910608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).