4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one

C16H18N2O3 — CID 82444386

IUPAC4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
SMILESCCCOc1ccc(-c2cc(C(C)=O)c(=O)n(C)n2)cc1
InChIInChI=1S/C16H18N2O3/c1-4-9-21-13-7-5-12(6-8-13)15-10-14(11(2)19)16(20)18(3)17-15/h5-8,10H,4,9H2,1-3H3
InChIKeyUMCXNISWEPCKNX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.44
Rot. Bonds5

About 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one

4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one (PubChem CID 82444386) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
PubChem CID82444386
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
SMILESCCCOc1ccc(-c2cc(C(C)=O)c(=O)n(C)n2)cc1
InChIInChI=1S/C16H18N2O3/c1-4-9-21-13-7-5-12(6-8-13)15-10-14(11(2)19)16(20)18(3)17-15/h5-8,10H,4,9H2,1-3H3
InChIKeyUMCXNISWEPCKNX-UHFFFAOYSA-N
XLogP2.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one (CID 82444386) is 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one is CCCOc1ccc(-c2cc(C(C)=O)c(=O)n(C)n2)cc1.
What is the InChIKey of 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one?
The InChIKey is UMCXNISWEPCKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-9-21-13-7-5-12(6-8-13)15-10-14(11(2)19)16(20)18(3)17-15/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one?
4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one has a molecular weight of 286.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82444386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).