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

C13H19N5OS — CID 107070568

IUPAC6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1CCCNC1c1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C13H19N5OS/c1-8-3-2-5-14-10(8)12-17-18-11(9-4-6-19-7-9)15-16-13(18)20-12/h8-10,14H,2-7H2,1H3
InChIKeyWWVCGXXLLKXEFG-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.75
Rot. Bonds2

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

6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 107070568) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID107070568
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1CCCNC1c1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C13H19N5OS/c1-8-3-2-5-14-10(8)12-17-18-11(9-4-6-19-7-9)15-16-13(18)20-12/h8-10,14H,2-7H2,1H3
InChIKeyWWVCGXXLLKXEFG-UHFFFAOYSA-N
XLogP1.75
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

3-cyclohexyl-6-(3-methylpiperidin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 107070563
6-(4-methylpyrrolidin-3-yl)-3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354776
3-(oxolan-3-yl)-6-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354951
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
CID 114355038
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
CID 114354921
1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
CID 114355113
1-[[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutan-1-amine
CID 114355115
2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine
CID 114355066
3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355109
3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanoic acid
CID 114352633
3-methyl-2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354933
5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-1,2,4-triazol-3-amine
CID 114354942

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 107070568) is 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC1CCCNC1c1nn2c(C3CCOC3)nnc2s1.
What is the InChIKey of 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is WWVCGXXLLKXEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-8-3-2-5-14-10(8)12-17-18-11(9-4-6-19-7-9)15-16-13(18)20-12/h8-10,14H,2-7H2,1H3.
What are the key properties of 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 293.40 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-2-yl)-3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 107070568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).