3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one

C14H12N2O3S — CID 23035262

IUPAC3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one
SMILESCOc1cc2cc(-c3ccc(=O)[nH]n3)sc2cc1OC
InChIInChI=1S/C14H12N2O3S/c1-18-10-5-8-6-13(9-3-4-14(17)16-15-9)20-12(8)7-11(10)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyVTSRFJMVHIJWHC-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.67
Rot. Bonds3

About 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one

3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one (PubChem CID 23035262) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one
PubChem CID23035262
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one
SMILESCOc1cc2cc(-c3ccc(=O)[nH]n3)sc2cc1OC
InChIInChI=1S/C14H12N2O3S/c1-18-10-5-8-6-13(9-3-4-14(17)16-15-9)20-12(8)7-11(10)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyVTSRFJMVHIJWHC-UHFFFAOYSA-N
XLogP2.67
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5,6-Dimethoxybenzo(b)thien-2-yl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
CID 131100
3-[7-methoxy-2-(trifluoromethyl)-1-benzothiophen-4-yl]-1H-pyridazin-6-one
CID 59376619
6-(3,4-Dimethoxyphenyl)-4-(thiophen-2-ylmethyl)pyridazin-3(2h)-one
CID 175672894
(NZ)-N-[1-(5,6-dimethoxy-1-benzothiophen-2-yl)ethylidene]hydroxylamine
CID 19828098
3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 23035225
3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 23035232
3-(5-ethoxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 23035236
4,5-dihydro-6-(5,6-diethoxy-benzo[b]thien-2-yl)-5-methyl-3(2H)-pyridazinone
CID 23035243
4,5-dihydro-6-(5-hydroxy-6-methoxybenzo[b]thien-2-yl)-5-methyl-3(2H)-pyridazinone
CID 23035245
N'-amino-N-[(5,6-dimethoxy-1-benzothiophen-2-yl)methylideneamino]methanimidamide
CID 54442669
3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-methyl-6-methylidene-4,5-dihydro-1H-pyridazine
CID 59863972
N-[1-(5,6-Dimethoxy-1-benzothiophen-2-yl)ethylidene]hydroxylamine
CID 71334798

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one (CID 23035262) is 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one is COc1cc2cc(-c3ccc(=O)[nH]n3)sc2cc1OC.
What is the InChIKey of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one?
The InChIKey is VTSRFJMVHIJWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-10-5-8-6-13(9-3-4-14(17)16-15-9)20-12(8)7-11(10)19-2/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one?
3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one has a molecular weight of 288.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 23035262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).