2-methyl-6-(4-phenylphenyl)pyridazin-3-one

C17H14N2O — CID 57150273

IUPAC2-methyl-6-(4-phenylphenyl)pyridazin-3-one
SMILESCn1nc(-c2ccc(-c3ccccc3)cc2)ccc1=O
InChIInChI=1S/C17H14N2O/c1-19-17(20)12-11-16(18-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyMRBBLLOKYMGULD-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.11
Rot. Bonds2

About 2-methyl-6-(4-phenylphenyl)pyridazin-3-one

2-methyl-6-(4-phenylphenyl)pyridazin-3-one (PubChem CID 57150273) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-phenylphenyl)pyridazin-3-one
PubChem CID57150273
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-methyl-6-(4-phenylphenyl)pyridazin-3-one
SMILESCn1nc(-c2ccc(-c3ccccc3)cc2)ccc1=O
InChIInChI=1S/C17H14N2O/c1-19-17(20)12-11-16(18-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyMRBBLLOKYMGULD-UHFFFAOYSA-N
XLogP3.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-phenylphenyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(4-phenylphenyl)pyridazin-3-one (CID 57150273) is 2-methyl-6-(4-phenylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(4-phenylphenyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(4-phenylphenyl)pyridazin-3-one is Cn1nc(-c2ccc(-c3ccccc3)cc2)ccc1=O.
What is the InChIKey of 2-methyl-6-(4-phenylphenyl)pyridazin-3-one?
The InChIKey is MRBBLLOKYMGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-19-17(20)12-11-16(18-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 2-methyl-6-(4-phenylphenyl)pyridazin-3-one?
2-methyl-6-(4-phenylphenyl)pyridazin-3-one has a molecular weight of 262.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-phenylphenyl)pyridazin-3-one is sourced from PubChem (CID 57150273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).