6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C12H17N5S — CID 114352404

IUPAC6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1nnc2sc(C3CCC4CCCCC4N3)nn12
InChIInChI=1S/C12H17N5S/c1-2-4-9-8(3-1)5-6-10(14-9)11-16-17-7-13-15-12(17)18-11/h7-10,14H,1-6H2
InChIKeyLLUXJNSGGFDJGJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.17
Rot. Bonds1

About 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114352404) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114352404
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1nnc2sc(C3CCC4CCCCC4N3)nn12
InChIInChI=1S/C12H17N5S/c1-2-4-9-8(3-1)5-6-10(14-9)11-16-17-7-13-15-12(17)18-11/h7-10,14H,1-6H2
InChIKeyLLUXJNSGGFDJGJ-UHFFFAOYSA-N
XLogP2.17
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114352404) is 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1nnc2sc(C3CCC4CCCCC4N3)nn12.
What is the InChIKey of 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LLUXJNSGGFDJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-2-4-9-8(3-1)5-6-10(14-9)11-16-17-7-13-15-12(17)18-11/h7-10,14H,1-6H2.
What are the key properties of 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 263.37 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114352404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).