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

C8H12N2O2S — CID 105062256

IUPAC6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCCS)n1
InChIInChI=1S/C8H12N2O2S/c1-12-7-3-4-8(11)10(9-7)5-2-6-13/h3-4,13H,2,5-6H2,1H3
InChIKeyZPOXDHOLRAXBEB-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.57
Rot. Bonds4

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

6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one (PubChem CID 105062256) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one
PubChem CID105062256
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CCCS)n1
InChIInChI=1S/C8H12N2O2S/c1-12-7-3-4-8(11)10(9-7)5-2-6-13/h3-4,13H,2,5-6H2,1H3
InChIKeyZPOXDHOLRAXBEB-UHFFFAOYSA-N
XLogP0.57
TPSA44.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.57
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

2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
6-Methoxy-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103074112
3-(3-Methoxy-6-oxopyridazin-1-yl)propanethioamide
CID 105061798
4-(3-Methoxy-6-oxopyridazin-1-yl)butanethioamide
CID 105061816
2-(3-Azidopropyl)-6-methoxypyridazin-3-one
CID 105061961
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-(2-sulfanylethyl)pyridazin-3-one
CID 105062257
2-[2-Ethyl-2-(sulfanylmethyl)butyl]-6-methoxypyridazin-3-one
CID 105062258

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one (CID 105062256) is 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one is COc1ccc(=O)n(CCCS)n1.
What is the InChIKey of 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one?
The InChIKey is ZPOXDHOLRAXBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-12-7-3-4-8(11)10(9-7)5-2-6-13/h3-4,13H,2,5-6H2,1H3.
What are the key properties of 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one?
6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one has a molecular weight of 200.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-sulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 105062256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).