3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one

C11H11N3OS — CID 129177659

IUPAC3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one
SMILESCCSc1cccnc1-c1ccc(=O)[nH]n1
InChIInChI=1S/C11H11N3OS/c1-2-16-9-4-3-7-12-11(9)8-5-6-10(15)14-13-8/h3-7H,2H2,1H3,(H,14,15)
InChIKeyZYDIXQYVAJWUPH-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.94
Rot. Bonds3

About 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one

3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one (PubChem CID 129177659) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one
PubChem CID129177659
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one
SMILESCCSc1cccnc1-c1ccc(=O)[nH]n1
InChIInChI=1S/C11H11N3OS/c1-2-16-9-4-3-7-12-11(9)8-5-6-10(15)14-13-8/h3-7H,2H2,1H3,(H,14,15)
InChIKeyZYDIXQYVAJWUPH-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-2-pyridylmethyleneamino]thiophene-2-carboxamide
CID 9593589
6-(Pyridin-2-yl)pyridazin-3-ol
CID 4980022
3-(4-methylphenyl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
CID 6892655
6-Pyridin-2-ylmethyl-pyridazin-3-ol
CID 3580136
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6862493
N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 9597956
2-(phenylsulfanyl)-N'-[(E)-pyridin-3-ylmethylidene]propanehydrazide
CID 9592866
2-Phenylsulfanyl-N-pyridin-2-ylmethyl-acetamide
CID 817456
3-(4-methylphenyl)sulfanyl-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
CID 5994212
5-(Pyridin-2-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one
CID 34363638
(2-Cyanopyridine-4-ylthio)acethydrazide
CID 477669
N'-[(2E,3E)-4-phenylbut-3-en-2-ylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 9620743

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one (CID 129177659) is 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one is CCSc1cccnc1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one?
The InChIKey is ZYDIXQYVAJWUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-16-9-4-3-7-12-11(9)8-5-6-10(15)14-13-8/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one?
3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one has a molecular weight of 233.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfanyl-2-pyridinyl)-1H-pyridazin-6-one is sourced from PubChem (CID 129177659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).