1,2-diphenyl-2-(2H-triazol-4-yl)ethanone

C16H13N3O — CID 70417346

IUPAC1,2-diphenyl-2-(2H-triazol-4-yl)ethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C16H13N3O/c20-16(13-9-5-2-6-10-13)15(14-11-17-19-18-14)12-7-3-1-4-8-12/h1-11,15H,(H,17,18,19)
InChIKeyUAADQFASQYYPEH-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.82
Rot. Bonds4

About 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone

1,2-diphenyl-2-(2H-triazol-4-yl)ethanone (PubChem CID 70417346) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone.

Molecular Properties

Compound Name1,2-diphenyl-2-(2H-triazol-4-yl)ethanone
PubChem CID70417346
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1,2-diphenyl-2-(2H-triazol-4-yl)ethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)c1cn[nH]n1
InChIInChI=1S/C16H13N3O/c20-16(13-9-5-2-6-10-13)15(14-11-17-19-18-14)12-7-3-1-4-8-12/h1-11,15H,(H,17,18,19)
InChIKeyUAADQFASQYYPEH-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
phenacyl 2,2-diphenylacetate
CID 597416
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
1-(4-iodophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 90680427
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
2-oxo-2-[5-[phenyl(2H-triazol-4-yl)methyl]piperidin-2-yl]acetaldehyde
CID 175609002
2-hydroxy-1,2-diphenylethanone
CID 159399559
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone
CID 174554384
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
2-phenanthridin-4-yl-1,2-diphenylethanone
CID 102585096

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone?
The IUPAC name of 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone (CID 70417346) is 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone.
What is the SMILES notation for 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone?
The canonical SMILES for 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone is O=C(c1ccccc1)C(c1ccccc1)c1cn[nH]n1.
What is the InChIKey of 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone?
The InChIKey is UAADQFASQYYPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(13-9-5-2-6-10-13)15(14-11-17-19-18-14)12-7-3-1-4-8-12/h1-11,15H,(H,17,18,19).
What are the key properties of 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone?
1,2-diphenyl-2-(2H-triazol-4-yl)ethanone has a molecular weight of 263.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-(2H-triazol-4-yl)ethanone is sourced from PubChem (CID 70417346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).