5-methyl-3,4-diphenyl-1H-pyridazin-6-one

C17H14N2O — CID 13078220

IUPAC5-methyl-3,4-diphenyl-1H-pyridazin-6-one
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C17H14N2O/c1-12-15(13-8-4-2-5-9-13)16(18-19-17(12)20)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20)
InChIKeyIXELMUFEPBILJR-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.41
Rot. Bonds2

About 5-methyl-3,4-diphenyl-1H-pyridazin-6-one

5-methyl-3,4-diphenyl-1H-pyridazin-6-one (PubChem CID 13078220) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methyl-3,4-diphenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-3,4-diphenyl-1H-pyridazin-6-one
PubChem CID13078220
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name5-methyl-3,4-diphenyl-1H-pyridazin-6-one
SMILESCc1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C17H14N2O/c1-12-15(13-8-4-2-5-9-13)16(18-19-17(12)20)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20)
InChIKeyIXELMUFEPBILJR-UHFFFAOYSA-N
XLogP3.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-diphenyl-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-3,4-diphenyl-1H-pyridazin-6-one (CID 13078220) is 5-methyl-3,4-diphenyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-3,4-diphenyl-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-3,4-diphenyl-1H-pyridazin-6-one is Cc1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of 5-methyl-3,4-diphenyl-1H-pyridazin-6-one?
The InChIKey is IXELMUFEPBILJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-15(13-8-4-2-5-9-13)16(18-19-17(12)20)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20).
What are the key properties of 5-methyl-3,4-diphenyl-1H-pyridazin-6-one?
5-methyl-3,4-diphenyl-1H-pyridazin-6-one has a molecular weight of 262.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-diphenyl-1H-pyridazin-6-one is sourced from PubChem (CID 13078220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).