2-ethyl-5-sulfanylpyridazin-3-one

C6H8N2OS — CID 167137932

IUPAC2-ethyl-5-sulfanylpyridazin-3-one
SMILESCCn1ncc(S)cc1=O
InChIInChI=1S/C6H8N2OS/c1-2-8-6(9)3-5(10)4-7-8/h3-4,10H,2H2,1H3
InChIKeySQSZJYYOOJBQPU-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.55
Rot. Bonds1

About 2-ethyl-5-sulfanylpyridazin-3-one

2-ethyl-5-sulfanylpyridazin-3-one (PubChem CID 167137932) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-ethyl-5-sulfanylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-sulfanylpyridazin-3-one
PubChem CID167137932
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-ethyl-5-sulfanylpyridazin-3-one
SMILESCCn1ncc(S)cc1=O
InChIInChI=1S/C6H8N2OS/c1-2-8-6(9)3-5(10)4-7-8/h3-4,10H,2H2,1H3
InChIKeySQSZJYYOOJBQPU-UHFFFAOYSA-N
XLogP0.55
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-sulfanylpyridazin-3-one?
The IUPAC name of 2-ethyl-5-sulfanylpyridazin-3-one (CID 167137932) is 2-ethyl-5-sulfanylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-5-sulfanylpyridazin-3-one?
The canonical SMILES for 2-ethyl-5-sulfanylpyridazin-3-one is CCn1ncc(S)cc1=O.
What is the InChIKey of 2-ethyl-5-sulfanylpyridazin-3-one?
The InChIKey is SQSZJYYOOJBQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-8-6(9)3-5(10)4-7-8/h3-4,10H,2H2,1H3.
What are the key properties of 2-ethyl-5-sulfanylpyridazin-3-one?
2-ethyl-5-sulfanylpyridazin-3-one has a molecular weight of 156.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-sulfanylpyridazin-3-one is sourced from PubChem (CID 167137932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).