5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one

C17H20N2O2 — CID 141266838

IUPAC5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one
SMILESC=Cc1cc(-c2ccn[nH]c2=O)cc(C(C)(C)C)c1OC
InChIInChI=1S/C17H20N2O2/c1-6-11-9-12(13-7-8-18-19-16(13)20)10-14(15(11)21-5)17(2,3)4/h6-10H,1H2,2-5H3,(H,19,20)
InChIKeyAYQICPVJEHLTLF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds3

About 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one

5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 141266838) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID141266838
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one
SMILESC=Cc1cc(-c2ccn[nH]c2=O)cc(C(C)(C)C)c1OC
InChIInChI=1S/C17H20N2O2/c1-6-11-9-12(13-7-8-18-19-16(13)20)10-14(15(11)21-5)17(2,3)4/h6-10H,1H2,2-5H3,(H,19,20)
InChIKeyAYQICPVJEHLTLF-UHFFFAOYSA-N
XLogP3.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one (CID 141266838) is 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one is C=Cc1cc(-c2ccn[nH]c2=O)cc(C(C)(C)C)c1OC.
What is the InChIKey of 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is AYQICPVJEHLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-6-11-9-12(13-7-8-18-19-16(13)20)10-14(15(11)21-5)17(2,3)4/h6-10H,1H2,2-5H3,(H,19,20).
What are the key properties of 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one?
5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 284.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-5-ethenyl-4-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 141266838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).