6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one

C15H14N2O3 — CID 175857279

IUPAC6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O3/c18-15-6-4-12(10-1-2-10)16-17(15)11-3-5-13-14(9-11)20-8-7-19-13/h3-6,9-10H,1-2,7-8H2
InChIKeyZWMWOAPWIADULA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.88
Rot. Bonds2

About 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one

6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one (PubChem CID 175857279) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one
PubChem CID175857279
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O3/c18-15-6-4-12(10-1-2-10)16-17(15)11-3-5-13-14(9-11)20-8-7-19-13/h3-6,9-10H,1-2,7-8H2
InChIKeyZWMWOAPWIADULA-UHFFFAOYSA-N
XLogP1.88
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-2-[[8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyridazin-3-one
CID 110235038
(3S)-3-[[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydrothiophene 1,1-dioxide
CID 95137977
(1R,2S,6S,7S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11903024
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50968304
2-[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50980083
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31855931
5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one
CID 97036104
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1-methyl-6-oxopyridazin-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 72910998
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperidine-2,6-dione
CID 45032013
(5R)-5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 164688937
3-[[5-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]methyl]-1,1-dimethylurea
CID 72855139
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one (CID 175857279) is 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one is O=c1ccc(C2CC2)nn1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one?
The InChIKey is ZWMWOAPWIADULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15-6-4-12(10-1-2-10)16-17(15)11-3-5-13-14(9-11)20-8-7-19-13/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one?
6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one has a molecular weight of 270.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one is sourced from PubChem (CID 175857279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).