2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide

C11H17N5O3S — CID 3073784

IUPAC2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide
SMILESCc1cc2ncnn2nc1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C11H17N5O3S/c1-8-4-9-13-7-14-16(9)15-10(8)19-5-11(2,3)6-20(12,17)18/h4,7H,5-6H2,1-3H3,(H2,12,17,18)
InChIKeyCAFKKIIVXSPURY-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.13
Rot. Bonds5

About 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide

2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide (PubChem CID 3073784) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide
PubChem CID3073784
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide
SMILESCc1cc2ncnn2nc1OCC(C)(C)CS(N)(=O)=O
InChIInChI=1S/C11H17N5O3S/c1-8-4-9-13-7-14-16(9)15-10(8)19-5-11(2,3)6-20(12,17)18/h4,7H,5-6H2,1-3H3,(H2,12,17,18)
InChIKeyCAFKKIIVXSPURY-UHFFFAOYSA-N
XLogP0.13
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(7-methoxy-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]-2,2-dimethylpropane-1-sulfonamide
CID 10710436
4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide
CID 3073791
2,2-dimethyl-3-[7-(2-methylpropyl)imidazo[1,2-b]pyridazin-6-yl]oxypropane-1-sulfonamide
CID 139747763
3-imidazo[2,1-a]phthalazin-6-yloxy-2,2-dimethylpropane-1-sulfonamide
CID 10782939
3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
CID 64999626
3,3-dimethyl-6-(7-methylimidazo[1,2-b]pyridazin-6-yl)hexane-1-sulfonamide
CID 15230581
2,2-dimethyl-3-(4-methylsulfonylphenoxy)propane-1-sulfonamide
CID 64998335
N-[6-(2,2-dimethyl-3-sulfamoylpropoxy)imidazo[1,2-b]pyridazin-3-yl]acetamide
CID 10521178
2,2-dimethyl-3-(3-nitrophenoxy)propane-1-sulfonamide
CID 64999478
6-[4-(4-benzhydrylpiperazin-1-yl)butoxy]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 22989376
7-tert-butyl-6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine
CID 155403948
3-(3,5-dimethylphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 64999349

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide (CID 3073784) is 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide is Cc1cc2ncnn2nc1OCC(C)(C)CS(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide?
The InChIKey is CAFKKIIVXSPURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-8-4-9-13-7-14-16(9)15-10(8)19-5-11(2,3)6-20(12,17)18/h4,7H,5-6H2,1-3H3,(H2,12,17,18).
What are the key properties of 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide?
2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide is sourced from PubChem (CID 3073784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).