4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one

C20H20N2O — CID 22135515

IUPAC4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one
SMILESCC(C)(C)c1ccc(-c2cc(=O)[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)16-11-9-14(10-12-16)17-13-18(23)21-22-19(17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,23)
InChIKeyDKOFTGCOEZRBSR-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.40
Rot. Bonds2

About 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one

4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 22135515) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one
PubChem CID22135515
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one
SMILESCC(C)(C)c1ccc(-c2cc(=O)[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)16-11-9-14(10-12-16)17-13-18(23)21-22-19(17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,23)
InChIKeyDKOFTGCOEZRBSR-UHFFFAOYSA-N
XLogP4.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 9649118
2,2-dimethyl-N'-(4-phenylcyclohexylidene)propanehydrazide
CID 24819039
N'-(4-phenylcyclohexylidene)acetohydrazide
CID 5154466
6-(4-Isopropylstyryl)-3-pyridazinol
CID 5707554
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-1-phenylethylideneamino]cyclopropane-1-carboxamide
CID 25753469
6-(4-Pentylphenyl)pyridazin-3-ol
CID 658318

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one (CID 22135515) is 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one is CC(C)(C)c1ccc(-c2cc(=O)[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is DKOFTGCOEZRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2,3)16-11-9-14(10-12-16)17-13-18(23)21-22-19(17)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,23).
What are the key properties of 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one?
4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 304.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 22135515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).