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

C14H14N2O3S — CID 23035225

IUPAC3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc2cc(C3=NNC(=O)CC3)sc2cc1OC
InChIInChI=1S/C14H14N2O3S/c1-18-10-5-8-6-13(9-3-4-14(17)16-15-9)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeySSOYSSYXMXNMRJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.53
Rot. Bonds3

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

3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 23035225) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID23035225
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc2cc(C3=NNC(=O)CC3)sc2cc1OC
InChIInChI=1S/C14H14N2O3S/c1-18-10-5-8-6-13(9-3-4-14(17)16-15-9)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeySSOYSSYXMXNMRJ-UHFFFAOYSA-N
XLogP2.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 23035225) is 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one is COc1cc2cc(C3=NNC(=O)CC3)sc2cc1OC.
What is the InChIKey of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is SSOYSSYXMXNMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-18-10-5-8-6-13(9-3-4-14(17)16-15-9)20-12(8)7-11(10)19-2/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(5,6-dimethoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 290.34 g/mol, XLogP of 2.53, 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)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 23035225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).