N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide

C18H24N6O3S — CID 43957857

About N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide

N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide (PubChem CID 43957857) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
• PubChem CID: 43957857
• Molecular Formula: C18H24N6O3S
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)NCCc1nnc2ccc(NCCc3ccccc3OC)nn12
• InChI: InChI=1S/C18H24N6O3S/c1-3-28(25,26)20-13-11-18-22-21-17-9-8-16(23-24(17)18)19-12-10-14-6-4-5-7-15(14)27-2/h4-9,20H,3,10-13H2,1-2H3,(H,19,23)
• InChIKey: GADDJHSSBKROEG-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide?

The IUPAC name of N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide (CID 43957857) is N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide.

What is the SMILES notation for N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide?

The canonical SMILES for N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1nnc2ccc(NCCc3ccccc3OC)nn12.

What is the InChIKey of N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide?

The InChIKey is GADDJHSSBKROEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-3-28(25,26)20-13-11-18-22-21-17-9-8-16(23-24(17)18)19-12-10-14-6-4-5-7-15(14)27-2/h4-9,20H,3,10-13H2,1-2H3,(H,19,23).

What are the key properties of N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide?

N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 43957857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).