4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one

C11H8N2O4 — CID 103241265

IUPAC4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one
SMILESO=c1cc(Oc2ccc3c(c2)OCO3)cn[nH]1
InChIInChI=1S/C11H8N2O4/c14-11-4-8(5-12-13-11)17-7-1-2-9-10(3-7)16-6-15-9/h1-5H,6H2,(H,13,14)
InChIKeyUGWGOEGMOIZCIX-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.29
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one

4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one (PubChem CID 103241265) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one
PubChem CID103241265
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one
SMILESO=c1cc(Oc2ccc3c(c2)OCO3)cn[nH]1
InChIInChI=1S/C11H8N2O4/c14-11-4-8(5-12-13-11)17-7-1-2-9-10(3-7)16-6-15-9/h1-5H,6H2,(H,13,14)
InChIKeyUGWGOEGMOIZCIX-UHFFFAOYSA-N
XLogP1.29
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethylphenoxy)-1H-pyridazin-6-one
CID 103241096
4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103241257
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
CID 63868415
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581
4-(4-butylphenoxy)-1H-pyridazin-6-one
CID 103241860
3-(1,3-benzodioxol-5-yloxy)benzonitrile
CID 66843549
4-(1,3-benzodioxol-5-yloxymethyl)-2H-triazole
CID 175991136
2-(1,3-benzodioxol-5-yloxy)-5-(bromomethyl)pyrimidine
CID 107086399
2-(1,3-benzodioxol-5-yloxy)-3,5,6-trichloropyridine
CID 113222181
1-[4-(1,3-benzodioxol-5-yloxy)-2,6-dimethylphenyl]-2-bromoethanone
CID 58442393
5-(1,3-benzodioxol-5-yloxy)-1H-indole-2-carboxylic acid
CID 5039380
6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
CID 115928074

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one (CID 103241265) is 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one is O=c1cc(Oc2ccc3c(c2)OCO3)cn[nH]1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one?
The InChIKey is UGWGOEGMOIZCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-11-4-8(5-12-13-11)17-7-1-2-9-10(3-7)16-6-15-9/h1-5H,6H2,(H,13,14).
What are the key properties of 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one?
4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one has a molecular weight of 232.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one is sourced from PubChem (CID 103241265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).