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

C5H5N5O3S — CID 66284230

IUPAC3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C5H5N5O3S/c6-14(12,13)4-2-1-3-7-8-5(11)10(3)9-4/h1-2H,(H,8,11)(H2,6,12,13)
InChIKeyAUUBFBWHZBHOLD-UHFFFAOYSA-N
MW215.19 g/mol
LogP-1.93
Rot. Bonds1

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

3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide (PubChem CID 66284230) has the molecular formula C5H5N5O3S and a molecular weight of 215.19 g/mol. Its IUPAC name is 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide.

Molecular Properties

Compound Name3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide
PubChem CID66284230
Molecular FormulaC5H5N5O3S
Molecular Weight215.19 g/mol
Exact Mass215.01
IUPAC Name3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C5H5N5O3S/c6-14(12,13)4-2-1-3-7-8-5(11)10(3)9-4/h1-2H,(H,8,11)(H2,6,12,13)
InChIKeyAUUBFBWHZBHOLD-UHFFFAOYSA-N
XLogP-1.93
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide?
The IUPAC name of 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide (CID 66284230) is 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide.
What is the SMILES notation for 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide?
The canonical SMILES for 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide is NS(=O)(=O)c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide?
The InChIKey is AUUBFBWHZBHOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O3S/c6-14(12,13)4-2-1-3-7-8-5(11)10(3)9-4/h1-2H,(H,8,11)(H2,6,12,13).
What are the key properties of 3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide?
3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazine-6-sulfonamide has a molecular weight of 215.19 g/mol, XLogP of -1.93, 1 rotatable bonds, 2 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-sulfonamide is sourced from PubChem (CID 66284230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).