3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C12H19N5S — CID 39364885

IUPAC3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1nnc2sc(C3CCNCC3)nn12
InChIInChI=1S/C12H19N5S/c1-12(2,3)10-14-15-11-17(10)16-9(18-11)8-4-6-13-7-5-8/h8,13H,4-7H2,1-3H3
InChIKeyHIAHLMCWLGTEDQ-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.95
Rot. Bonds1

About 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 39364885) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID39364885
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1nnc2sc(C3CCNCC3)nn12
InChIInChI=1S/C12H19N5S/c1-12(2,3)10-14-15-11-17(10)16-9(18-11)8-4-6-13-7-5-8/h8,13H,4-7H2,1-3H3
InChIKeyHIAHLMCWLGTEDQ-UHFFFAOYSA-N
XLogP1.95
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 39364885) is 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)(C)c1nnc2sc(C3CCNCC3)nn12.
What is the InChIKey of 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is HIAHLMCWLGTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-12(2,3)10-14-15-11-17(10)16-9(18-11)8-4-6-13-7-5-8/h8,13H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 265.39 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-piperidin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 39364885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).