6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one

C17H15BrN2O — CID 5228438

IUPAC6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(N2N=C(c3ccc(Br)cc3)CCC2=O)cc1
InChIInChI=1S/C17H15BrN2O/c1-12-2-8-15(9-3-12)20-17(21)11-10-16(19-20)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3
InChIKeyQMUOWXJYDYHHLJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.29
Rot. Bonds2

About 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one

6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 5228438) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
PubChem CID5228438
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(N2N=C(c3ccc(Br)cc3)CCC2=O)cc1
InChIInChI=1S/C17H15BrN2O/c1-12-2-8-15(9-3-12)20-17(21)11-10-16(19-20)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3
InChIKeyQMUOWXJYDYHHLJ-UHFFFAOYSA-N
XLogP4.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one (CID 5228438) is 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one is Cc1ccc(N2N=C(c3ccc(Br)cc3)CCC2=O)cc1.
What is the InChIKey of 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is QMUOWXJYDYHHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-12-2-8-15(9-3-12)20-17(21)11-10-16(19-20)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3.
What are the key properties of 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 343.22 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 5228438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).