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

C14H14N2O2S — CID 23035232

IUPAC3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc2cc(C3=NNC(=O)CC3C)sc2c1
InChIInChI=1S/C14H14N2O2S/c1-8-5-13(17)15-16-14(8)12-6-9-3-4-10(18-2)7-11(9)19-12/h3-4,6-8H,5H2,1-2H3,(H,15,17)
InChIKeyNQDLWVYPNUFQHB-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.77
Rot. Bonds2

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

3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 23035232) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID23035232
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc2cc(C3=NNC(=O)CC3C)sc2c1
InChIInChI=1S/C14H14N2O2S/c1-8-5-13(17)15-16-14(8)12-6-9-3-4-10(18-2)7-11(9)19-12/h3-4,6-8H,5H2,1-2H3,(H,15,17)
InChIKeyNQDLWVYPNUFQHB-UHFFFAOYSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 23035232) is 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccc2cc(C3=NNC(=O)CC3C)sc2c1.
What is the InChIKey of 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is NQDLWVYPNUFQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-5-13(17)15-16-14(8)12-6-9-3-4-10(18-2)7-11(9)19-12/h3-4,6-8H,5H2,1-2H3,(H,15,17).
What are the key properties of 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 274.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1-benzothiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 23035232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).