2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine

C11H11N5S — CID 82167237

IUPAC2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
SMILESNCCc1nnc2ccc(-c3cccs3)nn12
InChIInChI=1S/C11H11N5S/c12-6-5-11-14-13-10-4-3-8(15-16(10)11)9-2-1-7-17-9/h1-4,7H,5-6,12H2
InChIKeyBVOBTWRRNXEDFJ-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.35
Rot. Bonds3

About 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine

2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine (PubChem CID 82167237) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
PubChem CID82167237
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
SMILESNCCc1nnc2ccc(-c3cccs3)nn12
InChIInChI=1S/C11H11N5S/c12-6-5-11-14-13-10-4-3-8(15-16(10)11)9-2-1-7-17-9/h1-4,7H,5-6,12H2
InChIKeyBVOBTWRRNXEDFJ-UHFFFAOYSA-N
XLogP1.35
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The IUPAC name of 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine (CID 82167237) is 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine.
What is the SMILES notation for 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The canonical SMILES for 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine is NCCc1nnc2ccc(-c3cccs3)nn12.
What is the InChIKey of 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
The InChIKey is BVOBTWRRNXEDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c12-6-5-11-14-13-10-4-3-8(15-16(10)11)9-2-1-7-17-9/h1-4,7H,5-6,12H2.
What are the key properties of 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine?
2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine has a molecular weight of 245.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine is sourced from PubChem (CID 82167237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).