2-pyridazin-3-ylsulfanylpropanamide

C7H9N3OS — CID 130614776

IUPAC2-pyridazin-3-ylsulfanylpropanamide
SMILESCC(Sc1cccnn1)C(N)=O
InChIInChI=1S/C7H9N3OS/c1-5(7(8)11)12-6-3-2-4-9-10-6/h2-5H,1H3,(H2,8,11)
InChIKeyFQJQHFWTAXODAS-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.44
Rot. Bonds3

About 2-pyridazin-3-ylsulfanylpropanamide

2-pyridazin-3-ylsulfanylpropanamide (PubChem CID 130614776) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-pyridazin-3-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-pyridazin-3-ylsulfanylpropanamide
PubChem CID130614776
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-pyridazin-3-ylsulfanylpropanamide
SMILESCC(Sc1cccnn1)C(N)=O
InChIInChI=1S/C7H9N3OS/c1-5(7(8)11)12-6-3-2-4-9-10-6/h2-5H,1H3,(H2,8,11)
InChIKeyFQJQHFWTAXODAS-UHFFFAOYSA-N
XLogP0.44
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-ylsulfanylpropanamide?
The IUPAC name of 2-pyridazin-3-ylsulfanylpropanamide (CID 130614776) is 2-pyridazin-3-ylsulfanylpropanamide.
What is the SMILES notation for 2-pyridazin-3-ylsulfanylpropanamide?
The canonical SMILES for 2-pyridazin-3-ylsulfanylpropanamide is CC(Sc1cccnn1)C(N)=O.
What is the InChIKey of 2-pyridazin-3-ylsulfanylpropanamide?
The InChIKey is FQJQHFWTAXODAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-5(7(8)11)12-6-3-2-4-9-10-6/h2-5H,1H3,(H2,8,11).
What are the key properties of 2-pyridazin-3-ylsulfanylpropanamide?
2-pyridazin-3-ylsulfanylpropanamide has a molecular weight of 183.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-ylsulfanylpropanamide is sourced from PubChem (CID 130614776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).