4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide

C19H18N6O2S — CID 6619879

IUPAC4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C19H18N6O2S/c20-28(26,27)16-8-6-14(7-9-16)12-13-21-17-10-11-18-22-23-19(25(18)24-17)15-4-2-1-3-5-15/h1-11H,12-13H2,(H,21,24)(H2,20,26,27)
InChIKeyDIDVYKHDKJBUNI-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.09
Rot. Bonds6

About 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide

4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide (PubChem CID 6619879) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide
PubChem CID6619879
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C19H18N6O2S/c20-28(26,27)16-8-6-14(7-9-16)12-13-21-17-10-11-18-22-23-19(25(18)24-17)15-4-2-1-3-5-15/h1-11H,12-13H2,(H,21,24)(H2,20,26,27)
InChIKeyDIDVYKHDKJBUNI-UHFFFAOYSA-N
XLogP2.09
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide (CID 6619879) is 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is DIDVYKHDKJBUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c20-28(26,27)16-8-6-14(7-9-16)12-13-21-17-10-11-18-22-23-19(25(18)24-17)15-4-2-1-3-5-15/h1-11H,12-13H2,(H,21,24)(H2,20,26,27).
What are the key properties of 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 6619879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).