1-phenyl-2-(4-phenyltriazol-1-yl)ethanone

C16H13N3O — CID 16720859

IUPAC1-phenyl-2-(4-phenyltriazol-1-yl)ethanone
SMILESO=C(Cn1cc(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C16H13N3O/c20-16(14-9-5-2-6-10-14)12-19-11-15(17-18-19)13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyVCNVMISVNZEGJQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.83
Rot. Bonds4

About 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone

1-phenyl-2-(4-phenyltriazol-1-yl)ethanone (PubChem CID 16720859) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(4-phenyltriazol-1-yl)ethanone
PubChem CID16720859
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-phenyl-2-(4-phenyltriazol-1-yl)ethanone
SMILESO=C(Cn1cc(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C16H13N3O/c20-16(14-9-5-2-6-10-14)12-19-11-15(17-18-19)13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyVCNVMISVNZEGJQ-UHFFFAOYSA-N
XLogP2.83
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-Methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
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(2-Aminophenyl)-(1-phenyltriazol-4-yl)methanone
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3-(1-benzyltriazol-4-yl)-N-hydroxybenzamide
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N-hydroxy-3-[1-(2-phenylethyl)triazol-4-yl]benzamide
CID 136030780
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CID 319155
1-Methyl-3-(2-oxo-2-phenylethyl)-1H-1,2,3-benzotriazol-1-ium bromide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone?
The IUPAC name of 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone (CID 16720859) is 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone is O=C(Cn1cc(-c2ccccc2)nn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone?
The InChIKey is VCNVMISVNZEGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(14-9-5-2-6-10-14)12-19-11-15(17-18-19)13-7-3-1-4-8-13/h1-11H,12H2.
What are the key properties of 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone?
1-phenyl-2-(4-phenyltriazol-1-yl)ethanone has a molecular weight of 263.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-phenyltriazol-1-yl)ethanone is sourced from PubChem (CID 16720859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).