2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one

C19H20N2O — CID 44576821

IUPAC2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(CCc2ccc(-c3ccccc3)cc2)CCC1=O
InChIInChI=1S/C19H20N2O/c1-21-19(22)14-13-18(20-21)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3
InChIKeyRXTSWDQLBJFKRA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.89
Rot. Bonds4

About 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one (PubChem CID 44576821) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one
PubChem CID44576821
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(CCc2ccc(-c3ccccc3)cc2)CCC1=O
InChIInChI=1S/C19H20N2O/c1-21-19(22)14-13-18(20-21)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3
InChIKeyRXTSWDQLBJFKRA-UHFFFAOYSA-N
XLogP3.89
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one (CID 44576821) is 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one is CN1N=C(CCc2ccc(-c3ccccc3)cc2)CCC1=O.
What is the InChIKey of 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one?
The InChIKey is RXTSWDQLBJFKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-21-19(22)14-13-18(20-21)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-8,10-11H,9,12-14H2,1H3.
What are the key properties of 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(4-phenylphenyl)ethyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 44576821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).