3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one

C15H16N2O4 — CID 54184543

IUPAC3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H16N2O4/c1-9(11-5-6-14(18)17-16-11)10-7-12(19-2)15(21-4)13(8-10)20-3/h5-8H,1H2,2-4H3,(H,17,18)
InChIKeyPEEDZDAPKLIRCS-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.86
Rot. Bonds5

About 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one

3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one (PubChem CID 54184543) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one
PubChem CID54184543
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H16N2O4/c1-9(11-5-6-14(18)17-16-11)10-7-12(19-2)15(21-4)13(8-10)20-3/h5-8H,1H2,2-4H3,(H,17,18)
InChIKeyPEEDZDAPKLIRCS-UHFFFAOYSA-N
XLogP1.86
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one (CID 54184543) is 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one?
The InChIKey is PEEDZDAPKLIRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(11-5-6-14(18)17-16-11)10-7-12(19-2)15(21-4)13(8-10)20-3/h5-8H,1H2,2-4H3,(H,17,18).
What are the key properties of 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one?
3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one has a molecular weight of 288.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 54184543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).