6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one

C18H11F3N2O2 — CID 4271806

IUPAC6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one
SMILESO=C(c1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)14-11-15(24)23(13-9-5-2-6-10-13)22-16(14)17(25)12-7-3-1-4-8-12/h1-11H
InChIKeyWQTJIKOELXSWGM-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.48
Rot. Bonds3

About 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one

6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 4271806) has the molecular formula C18H11F3N2O2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID4271806
Molecular FormulaC18H11F3N2O2
Molecular Weight344.29 g/mol
Exact Mass344.08
IUPAC Name6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one
SMILESO=C(c1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)14-11-15(24)23(13-9-5-2-6-10-13)22-16(14)17(25)12-7-3-1-4-8-12/h1-11H
InChIKeyWQTJIKOELXSWGM-UHFFFAOYSA-N
XLogP3.48
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-
CID 78559
1-Phenyl-3-methyl-4-benzoyl-5-pyrazolone
CID 97690
1(2H)-Phthalazinone, 2,4-diphenyl-
CID 676336
3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
4-Methyl-2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 890123
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}-2-(trifluoromethyl)benzamide
CID 23647030
N'-[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)ethyl]benzohydrazide
CID 135411765
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 70850904
5-benzyl-2-phenyl-4H-pyrazol-3-one
CID 10514826
2-phenyl-4-[3-(trifluoromethyl)phenyl]phthalazin-1(2H)-one
CID 2796356
1-Phenyl-3-methyl-4-benzal-5-pyrazolone
CID 309224

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one (CID 4271806) is 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one is O=C(c1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F.
What is the InChIKey of 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is WQTJIKOELXSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O2/c19-18(20,21)14-11-15(24)23(13-9-5-2-6-10-13)22-16(14)17(25)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one?
6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 344.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-phenyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 4271806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).