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

C14H21N5OS — CID 114354951

IUPAC3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC1CCC(CCc2nn3c(C4CCOC4)nnc3s2)NC1
InChIInChI=1S/C14H21N5OS/c1-2-7-15-11(3-1)4-5-12-18-19-13(10-6-8-20-9-10)16-17-14(19)21-12/h10-11,15H,1-9H2
InChIKeyCJPFRGSWARLWRR-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.76
Rot. Bonds4

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

3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114354951) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114354951
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC1CCC(CCc2nn3c(C4CCOC4)nnc3s2)NC1
InChIInChI=1S/C14H21N5OS/c1-2-7-15-11(3-1)4-5-12-18-19-13(10-6-8-20-9-10)16-17-14(19)21-12/h10-11,15H,1-9H2
InChIKeyCJPFRGSWARLWRR-UHFFFAOYSA-N
XLogP1.76
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114354951) is 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C1CCC(CCc2nn3c(C4CCOC4)nnc3s2)NC1.
What is the InChIKey of 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CJPFRGSWARLWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-2-7-15-11(3-1)4-5-12-18-19-13(10-6-8-20-9-10)16-17-14(19)21-12/h10-11,15H,1-9H2.
What are the key properties of 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 307.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114354951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).