3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

C8H12N6S — CID 82473348

IUPAC3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESNc1nn2c(C3CCCNC3)nnc2s1
InChIInChI=1S/C8H12N6S/c9-7-13-14-6(11-12-8(14)15-7)5-2-1-3-10-4-5/h5,10H,1-4H2,(H2,9,13)
InChIKeyBEOBYTRNKKEGPX-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.23
Rot. Bonds1

About 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 82473348) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID82473348
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESNc1nn2c(C3CCCNC3)nnc2s1
InChIInChI=1S/C8H12N6S/c9-7-13-14-6(11-12-8(14)15-7)5-2-1-3-10-4-5/h5,10H,1-4H2,(H2,9,13)
InChIKeyBEOBYTRNKKEGPX-UHFFFAOYSA-N
XLogP0.23
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354287
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355882
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
3-cyclopentyl-6-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355497
5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
CID 114355459
5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzene-1,3-diamine
CID 107811571
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355495
4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
CID 114355736
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 116822477
3-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyrazin-2-amine
CID 114355525
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114355792

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 82473348) is 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is Nc1nn2c(C3CCCNC3)nnc2s1.
What is the InChIKey of 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is BEOBYTRNKKEGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c9-7-13-14-6(11-12-8(14)15-7)5-2-1-3-10-4-5/h5,10H,1-4H2,(H2,9,13).
What are the key properties of 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 224.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 82473348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).