6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H16N6S — CID 114353074

IUPAC6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1cncc(-c2nnc3sc(CC4CCNCC4)nn23)c1
InChIInChI=1S/C14H16N6S/c1-2-11(9-16-5-1)13-17-18-14-20(13)19-12(21-14)8-10-3-6-15-7-4-10/h1-2,5,9-10,15H,3-4,6-8H2
InChIKeyDNOLYLFRLHTEKT-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.79
Rot. Bonds3

About 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114353074) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114353074
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1cncc(-c2nnc3sc(CC4CCNCC4)nn23)c1
InChIInChI=1S/C14H16N6S/c1-2-11(9-16-5-1)13-17-18-14-20(13)19-12(21-14)8-10-3-6-15-7-4-10/h1-2,5,9-10,15H,3-4,6-8H2
InChIKeyDNOLYLFRLHTEKT-UHFFFAOYSA-N
XLogP1.79
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyridin-3-yl-6-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353146
3-phenyl-6-(2-pyrrolidin-3-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353189
3-methyl-1-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114353106
3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114353127
2-[2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1,3-benzothiazole
CID 6471901
2-[2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]isoindole-1,3-dione
CID 4900670
5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114353152
6-(3-methylpyrrolidin-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353100
3-phenyl-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353255
[5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine
CID 114353168
6-(4-chlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 935976
2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991433

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114353074) is 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1cncc(-c2nnc3sc(CC4CCNCC4)nn23)c1.
What is the InChIKey of 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is DNOLYLFRLHTEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-11(9-16-5-1)13-17-18-14-20(13)19-12(21-14)8-10-3-6-15-7-4-10/h1-2,5,9-10,15H,3-4,6-8H2.
What are the key properties of 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 300.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114353074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).