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

C10H15N5S — CID 10376878

IUPAC3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1nn2c(CCN3CCCCC3)nnc2s1
InChIInChI=1S/C10H15N5S/c1-2-5-14(6-3-1)7-4-9-12-13-10-15(9)11-8-16-10/h8H,1-7H2
InChIKeyLYFQGWRMYFNRAW-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.21
Rot. Bonds3

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

3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 10376878) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID10376878
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1nn2c(CCN3CCCCC3)nnc2s1
InChIInChI=1S/C10H15N5S/c1-2-5-14(6-3-1)7-4-9-12-13-10-15(9)11-8-16-10/h8H,1-7H2
InChIKeyLYFQGWRMYFNRAW-UHFFFAOYSA-N
XLogP1.21
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 10376878) is 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1nn2c(CCN3CCCCC3)nnc2s1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LYFQGWRMYFNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-2-5-14(6-3-1)7-4-9-12-13-10-15(9)11-8-16-10/h8H,1-7H2.
What are the key properties of 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 237.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 10376878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).