5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one

C17H13N3O2 — CID 118937995

IUPAC5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one
SMILESCC(=O)c1cnn(-c2cccnc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C17H13N3O2/c1-12(21)15-11-19-20(14-8-5-9-18-10-14)17(22)16(15)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyLDUZIXXETRPAGL-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.50
Rot. Bonds3

About 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one

5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one (PubChem CID 118937995) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one
PubChem CID118937995
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one
SMILESCC(=O)c1cnn(-c2cccnc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C17H13N3O2/c1-12(21)15-11-19-20(14-8-5-9-18-10-14)17(22)16(15)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyLDUZIXXETRPAGL-UHFFFAOYSA-N
XLogP2.50
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-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

4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
CID 130501966
sodium 5-amino-1-pyridin-3-ylpyrazole-4-carboxylate
CID 121302296
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
5-(1-methoxyethyl)-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 169213392
5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione
CID 80643260
4-hydroxy-1,3-diphenyl-6-pyridin-3-ylpyridin-2-one
CID 54690659
1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20855127
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
2-oxo-1-pyridin-3-ylpyridine-3-carboxylic acid
CID 21081587
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 70833297
1-(2-fluorophenyl)-5-pyridin-3-ylpyrazole-4-carboxylic acid
CID 82361520

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one (CID 118937995) is 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one is CC(=O)c1cnn(-c2cccnc2)c(=O)c1-c1ccccc1.
What is the InChIKey of 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one?
The InChIKey is LDUZIXXETRPAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-12(21)15-11-19-20(14-8-5-9-18-10-14)17(22)16(15)13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one?
5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one has a molecular weight of 291.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 118937995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).