6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H11N5OS — CID 66282051

IUPAC6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCc3ccsc3)nn12
InChIInChI=1S/C11H11N5OS/c17-11-14-13-10-2-1-9(15-16(10)11)12-5-3-8-4-6-18-7-8/h1-2,4,6-7H,3,5H2,(H,12,15)(H,14,17)
InChIKeyPXGPICXSZNXUQQ-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.13
Rot. Bonds4

About 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282051) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282051
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCc3ccsc3)nn12
InChIInChI=1S/C11H11N5OS/c17-11-14-13-10-2-1-9(15-16(10)11)12-5-3-8-4-6-18-7-8/h1-2,4,6-7H,3,5H2,(H,12,15)(H,14,17)
InChIKeyPXGPICXSZNXUQQ-UHFFFAOYSA-N
XLogP1.13
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283792
6-[2-(4-aminophenyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284020
6-(2-pyridin-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282431
6-[2-(5-chlorothiophen-2-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103756503
6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103756594
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
CID 66283992
6-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283625
6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282443
6-(3-aminopentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113498110
6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282248
N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488143

Frequently Asked Questions

What is the IUPAC name of 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282051) is 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCCc3ccsc3)nn12.
What is the InChIKey of 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is PXGPICXSZNXUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c17-11-14-13-10-2-1-9(15-16(10)11)12-5-3-8-4-6-18-7-8/h1-2,4,6-7H,3,5H2,(H,12,15)(H,14,17).
What are the key properties of 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 261.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-thiophen-3-ylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).