6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one

C7H10N2O2S — CID 105062257

IUPAC6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCS)n1
InChIInChI=1S/C7H10N2O2S/c1-11-6-2-3-7(10)9(8-6)4-5-12/h2-3,12H,4-5H2,1H3
InChIKeyMLINYXFGQAKUOX-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.18
Rot. Bonds3

About 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one

6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one (PubChem CID 105062257) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one
PubChem CID105062257
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCS)n1
InChIInChI=1S/C7H10N2O2S/c1-11-6-2-3-7(10)9(8-6)4-5-12/h2-3,12H,4-5H2,1H3
InChIKeyMLINYXFGQAKUOX-UHFFFAOYSA-N
XLogP0.18
TPSA44.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
6-Methoxy-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103074112
2-(3-Methoxy-6-oxopyridazin-1-yl)acetonitrile
CID 105061767
2-(3-Methoxy-6-oxopyridazin-1-yl)ethanethioamide
CID 105061810
6-methoxy-2-[(E)-4-sulfanylbut-2-enyl]pyridazin-3-one
CID 105062252
6-Methoxy-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 105062253
6-Methoxy-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 105062254
6-Methoxy-2-[2-(sulfanylmethyl)pentyl]pyridazin-3-one
CID 105062255
6-Methoxy-2-(3-sulfanylpropyl)pyridazin-3-one
CID 105062256
2-[2-Ethyl-2-(sulfanylmethyl)butyl]-6-methoxypyridazin-3-one
CID 105062258
6-Methoxy-2-[3-methyl-2-(sulfanylmethyl)butyl]pyridazin-3-one
CID 105062262

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one (CID 105062257) is 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one is COc1ccc(=O)n(CCS)n1.
What is the InChIKey of 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one?
The InChIKey is MLINYXFGQAKUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-11-6-2-3-7(10)9(8-6)4-5-12/h2-3,12H,4-5H2,1H3.
What are the key properties of 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one?
6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one has a molecular weight of 186.24 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-sulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 105062257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).