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

C7H9N5O3S2 — CID 66284425

IUPAC2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide
SMILESNS(=O)(=O)CCSc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C7H9N5O3S2/c8-17(14,15)4-3-16-6-2-1-5-9-10-7(13)12(5)11-6/h1-2H,3-4H2,(H,10,13)(H2,8,14,15)
InChIKeyPDAMMUYKXLCONS-UHFFFAOYSA-N
MW275.31 g/mol
LogP-1.20
Rot. Bonds4

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

2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide (PubChem CID 66284425) has the molecular formula C7H9N5O3S2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide
PubChem CID66284425
Molecular FormulaC7H9N5O3S2
Molecular Weight275.31 g/mol
Exact Mass275.01
IUPAC Name2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide
SMILESNS(=O)(=O)CCSc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C7H9N5O3S2/c8-17(14,15)4-3-16-6-2-1-5-9-10-7(13)12(5)11-6/h1-2H,3-4H2,(H,10,13)(H2,8,14,15)
InChIKeyPDAMMUYKXLCONS-UHFFFAOYSA-N
XLogP-1.20
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide?
The IUPAC name of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide (CID 66284425) is 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide.
What is the SMILES notation for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide?
The canonical SMILES for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide is NS(=O)(=O)CCSc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide?
The InChIKey is PDAMMUYKXLCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S2/c8-17(14,15)4-3-16-6-2-1-5-9-10-7(13)12(5)11-6/h1-2H,3-4H2,(H,10,13)(H2,8,14,15).
What are the key properties of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide?
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanesulfonamide has a molecular weight of 275.31 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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)sulfanyl]ethanesulfonamide is sourced from PubChem (CID 66284425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).