N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide

C16H19N7O3S — CID 126922213

About N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 126922213) has the molecular formula C16H19N7O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide
• PubChem CID: 126922213
• Molecular Formula: C16H19N7O3S
• Molecular Weight: 389.44 g/mol
• Exact Mass: 389.13
• IUPAC Name: N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide
• SMILES: CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)c1cnoc1
• InChI: InChI=1S/C16H19N7O3S/c1-21(27(24,25)13-7-17-26-10-13)12-8-22(9-12)15-6-5-14-18-19-16(23(14)20-15)11-3-2-4-11/h5-7,10-12H,2-4,8-9H2,1H3
• InChIKey: VWGIJVGZLDPAGQ-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 109.73 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.44
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide?

The IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide (CID 126922213) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide.

What is the SMILES notation for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide?

The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide is CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)c1cnoc1.

What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide?

The InChIKey is VWGIJVGZLDPAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3S/c1-21(27(24,25)13-7-17-26-10-13)12-8-22(9-12)15-6-5-14-18-19-16(23(14)20-15)11-3-2-4-11/h5-7,10-12H,2-4,8-9H2,1H3.

What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide?

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 389.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 126922213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).