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

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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).