4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide

C15H25N5O3S — CID 3073791

IUPAC4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide
SMILESCCC(CC)(CCCS(N)(=O)=O)COc1nn2ncnc2cc1C
InChIInChI=1S/C15H25N5O3S/c1-4-15(5-2,7-6-8-24(16,21)22)10-23-14-12(3)9-13-17-11-18-20(13)19-14/h9,11H,4-8,10H2,1-3H3,(H2,16,21,22)
InChIKeyGCDVNJPFEJPITA-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.69
Rot. Bonds9

About 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide

4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide (PubChem CID 3073791) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide.

Molecular Properties

Compound Name4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide
PubChem CID3073791
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide
SMILESCCC(CC)(CCCS(N)(=O)=O)COc1nn2ncnc2cc1C
InChIInChI=1S/C15H25N5O3S/c1-4-15(5-2,7-6-8-24(16,21)22)10-23-14-12(3)9-13-17-11-18-20(13)19-14/h9,11H,4-8,10H2,1-3H3,(H2,16,21,22)
InChIKeyGCDVNJPFEJPITA-UHFFFAOYSA-N
XLogP1.69
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide?
The IUPAC name of 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide (CID 3073791) is 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide.
What is the SMILES notation for 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide?
The canonical SMILES for 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide is CCC(CC)(CCCS(N)(=O)=O)COc1nn2ncnc2cc1C.
What is the InChIKey of 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide?
The InChIKey is GCDVNJPFEJPITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-4-15(5-2,7-6-8-24(16,21)22)10-23-14-12(3)9-13-17-11-18-20(13)19-14/h9,11H,4-8,10H2,1-3H3,(H2,16,21,22).
What are the key properties of 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide?
4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]hexane-1-sulfonamide is sourced from PubChem (CID 3073791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).