6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C13H15N5S — CID 90671741

IUPAC6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCCc1cc(NCCc2cccs2)c2nncn2n1
InChIInChI=1S/C13H15N5S/c1-2-10-8-12(13-16-15-9-18(13)17-10)14-6-5-11-4-3-7-19-11/h3-4,7-9,14H,2,5-6H2,1H3
InChIKeyUXASDORBXVVNPE-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.40
Rot. Bonds5

About 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 90671741) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID90671741
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCCc1cc(NCCc2cccs2)c2nncn2n1
InChIInChI=1S/C13H15N5S/c1-2-10-8-12(13-16-15-9-18(13)17-10)14-6-5-11-4-3-7-19-11/h3-4,7-9,14H,2,5-6H2,1H3
InChIKeyUXASDORBXVVNPE-UHFFFAOYSA-N
XLogP2.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine 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 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 90671741) is 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CCc1cc(NCCc2cccs2)c2nncn2n1.
What is the InChIKey of 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is UXASDORBXVVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-2-10-8-12(13-16-15-9-18(13)17-10)14-6-5-11-4-3-7-19-11/h3-4,7-9,14H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 273.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 90671741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).