3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C11H17N5S — CID 114352010

IUPAC3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nnc2sc(CCC3CCCNC3)nn12
InChIInChI=1S/C11H17N5S/c1-8-13-14-11-16(8)15-10(17-11)5-4-9-3-2-6-12-7-9/h9,12H,2-7H2,1H3
InChIKeyFVKCILRDIKWUMZ-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.43
Rot. Bonds3

About 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114352010) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114352010
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nnc2sc(CCC3CCCNC3)nn12
InChIInChI=1S/C11H17N5S/c1-8-13-14-11-16(8)15-10(17-11)5-4-9-3-2-6-12-7-9/h9,12H,2-7H2,1H3
InChIKeyFVKCILRDIKWUMZ-UHFFFAOYSA-N
XLogP1.43
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-6-(2-pyrrolidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353189
3-ethyl-6-(piperidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354178
3-methyl-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 82476945
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114352100
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-cyclopropyl-6-(2-piperidin-3-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354287
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562249
2-methyl-5-(2-piperidin-3-ylethoxy)-1,3,4-thiadiazole
CID 65208510
2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid
CID 39197796
3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
CID 116925658
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214
3-pyridin-3-yl-6-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353146

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114352010) is 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nnc2sc(CCC3CCCNC3)nn12.
What is the InChIKey of 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is FVKCILRDIKWUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-8-13-14-11-16(8)15-10(17-11)5-4-9-3-2-6-12-7-9/h9,12H,2-7H2,1H3.
What are the key properties of 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 251.36 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-piperidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114352010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).