[6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite

C9H12FN3OS — CID 145023141

IUPAC[6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite
SMILESCCCCNC(=O)c1ccc(SF)nn1
InChIInChI=1S/C9H12FN3OS/c1-2-3-6-11-9(14)7-4-5-8(15-10)13-12-7/h4-5H,2-3,6H2,1H3,(H,11,14)
InChIKeyJEPORGNTURZIFC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.98
Rot. Bonds5

About [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite

[6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite (PubChem CID 145023141) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite
PubChem CID145023141
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name[6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite
SMILESCCCCNC(=O)c1ccc(SF)nn1
InChIInChI=1S/C9H12FN3OS/c1-2-3-6-11-9(14)7-4-5-8(15-10)13-12-7/h4-5H,2-3,6H2,1H3,(H,11,14)
InChIKeyJEPORGNTURZIFC-UHFFFAOYSA-N
XLogP1.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite?
The IUPAC name of [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite (CID 145023141) is [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite.
What is the SMILES notation for [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite?
The canonical SMILES for [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite is CCCCNC(=O)c1ccc(SF)nn1.
What is the InChIKey of [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite?
The InChIKey is JEPORGNTURZIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c1-2-3-6-11-9(14)7-4-5-8(15-10)13-12-7/h4-5H,2-3,6H2,1H3,(H,11,14).
What are the key properties of [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite?
[6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite has a molecular weight of 229.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butylcarbamoyl)pyridazin-3-yl] thiohypofluorite is sourced from PubChem (CID 145023141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).