N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide

C8H12N6O3S — CID 66283992

IUPACN-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C8H12N6O3S/c1-18(16,17)10-5-4-9-6-2-3-7-11-12-8(15)14(7)13-6/h2-3,10H,4-5H2,1H3,(H,9,13)(H,12,15)
InChIKeyFNFJIGCPXGPXLS-UHFFFAOYSA-N
MW272.29 g/mol
LogP-1.62
Rot. Bonds5

About N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide

N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide (PubChem CID 66283992) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
PubChem CID66283992
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC NameN-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C8H12N6O3S/c1-18(16,17)10-5-4-9-6-2-3-7-11-12-8(15)14(7)13-6/h2-3,10H,4-5H2,1H3,(H,9,13)(H,12,15)
InChIKeyFNFJIGCPXGPXLS-UHFFFAOYSA-N
XLogP-1.62
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide (CID 66283992) is N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide?
The InChIKey is FNFJIGCPXGPXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c1-18(16,17)10-5-4-9-6-2-3-7-11-12-8(15)14(7)13-6/h2-3,10H,4-5H2,1H3,(H,9,13)(H,12,15).
What are the key properties of N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide?
N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide has a molecular weight of 272.29 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 66283992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).