6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one

C7H8F3N3OS — CID 116788258

IUPAC6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
SMILESNc1ccc(=O)n(CCSC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)15-4-3-13-6(14)2-1-5(11)12-13/h1-2H,3-4H2,(H2,11,12)
InChIKeyYIXJXNDFPJTMJR-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.08
Rot. Bonds3

About 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one

6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one (PubChem CID 116788258) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
PubChem CID116788258
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
SMILESNc1ccc(=O)n(CCSC(F)(F)F)n1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)15-4-3-13-6(14)2-1-5(11)12-13/h1-2H,3-4H2,(H2,11,12)
InChIKeyYIXJXNDFPJTMJR-UHFFFAOYSA-N
XLogP1.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one?
The IUPAC name of 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one (CID 116788258) is 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one is Nc1ccc(=O)n(CCSC(F)(F)F)n1.
What is the InChIKey of 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one?
The InChIKey is YIXJXNDFPJTMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)15-4-3-13-6(14)2-1-5(11)12-13/h1-2H,3-4H2,(H2,11,12).
What are the key properties of 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one?
6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one has a molecular weight of 239.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 116788258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).