2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one

C14H16N2O — CID 123591144

IUPAC2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(-c2ccc(=O)n(C)n2)cc(C)c1C
InChIInChI=1S/C14H16N2O/c1-9-7-12(8-10(2)11(9)3)13-5-6-14(17)16(4)15-13/h5-8H,1-4H3
InChIKeyQRRZQYLJUAGVLJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.37
Rot. Bonds1

About 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one

2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one (PubChem CID 123591144) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one
PubChem CID123591144
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(-c2ccc(=O)n(C)n2)cc(C)c1C
InChIInChI=1S/C14H16N2O/c1-9-7-12(8-10(2)11(9)3)13-5-6-14(17)16(4)15-13/h5-8H,1-4H3
InChIKeyQRRZQYLJUAGVLJ-UHFFFAOYSA-N
XLogP2.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one (CID 123591144) is 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one is Cc1cc(-c2ccc(=O)n(C)n2)cc(C)c1C.
What is the InChIKey of 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one?
The InChIKey is QRRZQYLJUAGVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-7-12(8-10(2)11(9)3)13-5-6-14(17)16(4)15-13/h5-8H,1-4H3.
What are the key properties of 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one?
2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one has a molecular weight of 228.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3,4,5-trimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 123591144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).