1,6-diphenylpyridazin-4-one

C16H12N2O — CID 2311475

IUPAC1,6-diphenylpyridazin-4-one
SMILESO=c1cnn(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C16H12N2O/c19-15-11-16(13-7-3-1-4-8-13)18(17-12-15)14-9-5-2-6-10-14/h1-12H
InChIKeyVOHGVOUZCNKYHX-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.90
Rot. Bonds2

About 1,6-diphenylpyridazin-4-one

1,6-diphenylpyridazin-4-one (PubChem CID 2311475) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,6-diphenylpyridazin-4-one.

Molecular Properties

Compound Name1,6-diphenylpyridazin-4-one
PubChem CID2311475
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1,6-diphenylpyridazin-4-one
SMILESO=c1cnn(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C16H12N2O/c19-15-11-16(13-7-3-1-4-8-13)18(17-12-15)14-9-5-2-6-10-14/h1-12H
InChIKeyVOHGVOUZCNKYHX-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one
CID 142673824
1,3,5-triphenylpyrazole
CID 626614
1,2,6-triphenylpyridin-4-one
CID 13088641
1,2,5-triphenylpyrazol-3-one
CID 150178882
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
3-[4-(7-oxo-1,5-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]-1,5-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 102097082
(1,5-diphenylpyrazol-3-yl) formate
CID 91229839
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate
CID 70483568
2-(4-phenylphenyl)phthalazin-1-one
CID 71501176
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
1-phenylindazole-4,7-dione
CID 102097080

Frequently Asked Questions

What is the IUPAC name of 1,6-diphenylpyridazin-4-one?
The IUPAC name of 1,6-diphenylpyridazin-4-one (CID 2311475) is 1,6-diphenylpyridazin-4-one.
What is the SMILES notation for 1,6-diphenylpyridazin-4-one?
The canonical SMILES for 1,6-diphenylpyridazin-4-one is O=c1cnn(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 1,6-diphenylpyridazin-4-one?
The InChIKey is VOHGVOUZCNKYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-15-11-16(13-7-3-1-4-8-13)18(17-12-15)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1,6-diphenylpyridazin-4-one?
1,6-diphenylpyridazin-4-one has a molecular weight of 248.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenylpyridazin-4-one is sourced from PubChem (CID 2311475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).