3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one

C17H13IN2O — CID 20569969

IUPAC3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C17H13IN2O/c1-11-10-16(21)19-20-17(11)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-10H,1H3,(H,19,21)
InChIKeyYSPPUCODAIKTAN-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.02
Rot. Bonds2

About 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one

3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one (PubChem CID 20569969) has the molecular formula C17H13IN2O and a molecular weight of 388.21 g/mol. Its IUPAC name is 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one
PubChem CID20569969
Molecular FormulaC17H13IN2O
Molecular Weight388.21 g/mol
Exact Mass388.01
IUPAC Name3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C17H13IN2O/c1-11-10-16(21)19-20-17(11)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-10H,1H3,(H,19,21)
InChIKeyYSPPUCODAIKTAN-UHFFFAOYSA-N
XLogP4.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-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-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-
CID 95757
Benzo(h)cinnolin-3(2H)-one, 5,6-dihydro-
CID 213230
3-Phenyl-6-pyridazone
CID 75106
6-(4-Methylphenyl)pyridazin-3-ol
CID 687205
6-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyridazin-3-one
CID 5707079
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
6-(4-Isopropylstyryl)-3-pyridazinol
CID 5707554
6-(4-Pentylphenyl)pyridazin-3-ol
CID 658318
4-benzyl-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811846
N'-(Diphenylmethylidene)acetohydrazide
CID 319836
3(2H)-Pyridazinone, 6-methyl-5-phenyl-
CID 3047628
6-(Naphthalen-2-yl)pyridazin-3-ol
CID 12316099

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one (CID 20569969) is 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1-c1ccc(-c2ccc(I)cc2)cc1.
What is the InChIKey of 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one?
The InChIKey is YSPPUCODAIKTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O/c1-11-10-16(21)19-20-17(11)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-10H,1H3,(H,19,21).
What are the key properties of 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one?
3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one has a molecular weight of 388.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-iodophenyl)phenyl]-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 20569969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).