2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one

C14H16N2O — CID 167909243

IUPAC2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(C)cc2)c(C)cc1=O
InChIInChI=1S/C14H16N2O/c1-4-16-13(17)9-11(3)14(15-16)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyKSLQIRVMFKNGEV-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.55
Rot. Bonds2

About 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one

2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 167909243) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one
PubChem CID167909243
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(C)cc2)c(C)cc1=O
InChIInChI=1S/C14H16N2O/c1-4-16-13(17)9-11(3)14(15-16)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKeyKSLQIRVMFKNGEV-UHFFFAOYSA-N
XLogP2.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one (CID 167909243) is 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one is CCn1nc(-c2ccc(C)cc2)c(C)cc1=O.
What is the InChIKey of 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is KSLQIRVMFKNGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-16-13(17)9-11(3)14(15-16)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one?
2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 228.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 167909243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).