3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride

C5H3ClN4O3S — CID 66284227

IUPAC3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride
SMILESO=c1[nH]nc2ccc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C5H3ClN4O3S/c6-14(12,13)4-2-1-3-7-8-5(11)10(3)9-4/h1-2H,(H,8,11)
InChIKeyHFWPVCTZVOJVKJ-UHFFFAOYSA-N
MW234.62 g/mol
LogP-0.65
Rot. Bonds1

About 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride

3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride (PubChem CID 66284227) has the molecular formula C5H3ClN4O3S and a molecular weight of 234.62 g/mol. Its IUPAC name is 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride.

Molecular Properties

Compound Name3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride
PubChem CID66284227
Molecular FormulaC5H3ClN4O3S
Molecular Weight234.62 g/mol
Exact Mass233.96
IUPAC Name3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride
SMILESO=c1[nH]nc2ccc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C5H3ClN4O3S/c6-14(12,13)4-2-1-3-7-8-5(11)10(3)9-4/h1-2H,(H,8,11)
InChIKeyHFWPVCTZVOJVKJ-UHFFFAOYSA-N
XLogP-0.65
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.62
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride?
The IUPAC name of 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride (CID 66284227) is 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride.
What is the SMILES notation for 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride?
The canonical SMILES for 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride is O=c1[nH]nc2ccc(S(=O)(=O)Cl)nn12.
What is the InChIKey of 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride?
The InChIKey is HFWPVCTZVOJVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4O3S/c6-14(12,13)4-2-1-3-7-8-5(11)10(3)9-4/h1-2H,(H,8,11).
What are the key properties of 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride?
3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride has a molecular weight of 234.62 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonyl chloride is sourced from PubChem (CID 66284227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).