2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide

C20H27N7O4S — CID 43957997

IUPAC2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCc1nnc2ccc(NCCN3CCOCC3)nn12
InChIInChI=1S/C20H27N7O4S/c1-30-16-4-2-3-5-17(16)32(28,29)22-9-8-20-24-23-19-7-6-18(25-27(19)20)21-10-11-26-12-14-31-15-13-26/h2-7,22H,8-15H2,1H3,(H,21,25)
InChIKeyPFVUQWARXOKXCX-UHFFFAOYSA-N
MW461.55 g/mol
LogP0.40
Rot. Bonds10

About 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide

2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide (PubChem CID 43957997) has the molecular formula C20H27N7O4S and a molecular weight of 461.55 g/mol. Its IUPAC name is 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
PubChem CID43957997
Molecular FormulaC20H27N7O4S
Molecular Weight461.55 g/mol
Exact Mass461.18
IUPAC Name2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCc1nnc2ccc(NCCN3CCOCC3)nn12
InChIInChI=1S/C20H27N7O4S/c1-30-16-4-2-3-5-17(16)32(28,29)22-9-8-20-24-23-19-7-6-18(25-27(19)20)21-10-11-26-12-14-31-15-13-26/h2-7,22H,8-15H2,1H3,(H,21,25)
InChIKeyPFVUQWARXOKXCX-UHFFFAOYSA-N
XLogP0.40
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
CID 43957992
N-[2-[6-[2-(dimethylamino)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-2-methoxybenzenesulfonamide
CID 43958004
N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
CID 43957857
N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
CID 43958089
3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133487996
3-fluoro-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957676
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
4-fluoro-N-[2-[6-(3-phenylpropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
CID 43957910
N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-fluorobenzenesulfonamide
CID 43957938

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide (CID 43957997) is 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCCc1nnc2ccc(NCCN3CCOCC3)nn12.
What is the InChIKey of 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is PFVUQWARXOKXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O4S/c1-30-16-4-2-3-5-17(16)32(28,29)22-9-8-20-24-23-19-7-6-18(25-27(19)20)21-10-11-26-12-14-31-15-13-26/h2-7,22H,8-15H2,1H3,(H,21,25).
What are the key properties of 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide?
2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 461.55 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[6-(2-morpholin-4-ylethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 43957997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).