2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide

C7H9N5O5S2 — CID 66284426

IUPAC2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide
SMILESNS(=O)(=O)CCS(=O)(=O)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C7H9N5O5S2/c8-19(16,17)4-3-18(14,15)6-2-1-5-9-10-7(13)12(5)11-6/h1-2H,3-4H2,(H,10,13)(H2,8,16,17)
InChIKeyFKTQOFMRKDVLHT-UHFFFAOYSA-N
MW307.31 g/mol
LogP-2.52
Rot. Bonds4

About 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide

2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide (PubChem CID 66284426) has the molecular formula C7H9N5O5S2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide
PubChem CID66284426
Molecular FormulaC7H9N5O5S2
Molecular Weight307.31 g/mol
Exact Mass307.00
IUPAC Name2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide
SMILESNS(=O)(=O)CCS(=O)(=O)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C7H9N5O5S2/c8-19(16,17)4-3-18(14,15)6-2-1-5-9-10-7(13)12(5)11-6/h1-2H,3-4H2,(H,10,13)(H2,8,16,17)
InChIKeyFKTQOFMRKDVLHT-UHFFFAOYSA-N
XLogP-2.52
TPSA157.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-2.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide 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 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide?
The IUPAC name of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide (CID 66284426) is 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide.
What is the SMILES notation for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide?
The canonical SMILES for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide is NS(=O)(=O)CCS(=O)(=O)c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide?
The InChIKey is FKTQOFMRKDVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O5S2/c8-19(16,17)4-3-18(14,15)6-2-1-5-9-10-7(13)12(5)11-6/h1-2H,3-4H2,(H,10,13)(H2,8,16,17).
What are the key properties of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide?
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide has a molecular weight of 307.31 g/mol, XLogP of -2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfonyl]ethanesulfonamide is sourced from PubChem (CID 66284426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).