3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C14H14N2O3S — CID 23035245

IUPAC3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc2sc(C3=NNC(=O)CC3C)cc2cc1O
InChIInChI=1S/C14H14N2O3S/c1-7-3-13(18)15-16-14(7)12-5-8-4-9(17)10(19-2)6-11(8)20-12/h4-7,17H,3H2,1-2H3,(H,15,18)
InChIKeyUSTUVIDYPVAOGT-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.48
Rot. Bonds2

About 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 23035245) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID23035245
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc2sc(C3=NNC(=O)CC3C)cc2cc1O
InChIInChI=1S/C14H14N2O3S/c1-7-3-13(18)15-16-14(7)12-5-8-4-9(17)10(19-2)6-11(8)20-12/h4-7,17H,3H2,1-2H3,(H,15,18)
InChIKeyUSTUVIDYPVAOGT-UHFFFAOYSA-N
XLogP2.48
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 23035245) is 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1cc2sc(C3=NNC(=O)CC3C)cc2cc1O.
What is the InChIKey of 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is USTUVIDYPVAOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-7-3-13(18)15-16-14(7)12-5-8-4-9(17)10(19-2)6-11(8)20-12/h4-7,17H,3H2,1-2H3,(H,15,18).
What are the key properties of 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 290.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 23035245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).