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

C10H15N5OS — CID 114355291

IUPAC3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOCc1nnc2sc(C3CCCCN3)nn12
InChIInChI=1S/C10H15N5OS/c1-16-6-8-12-13-10-15(8)14-9(17-10)7-4-2-3-5-11-7/h7,11H,2-6H2,1H3
InChIKeyFROGDHMMIXLLOQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.15
Rot. Bonds3

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

3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114355291) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114355291
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOCc1nnc2sc(C3CCCCN3)nn12
InChIInChI=1S/C10H15N5OS/c1-16-6-8-12-13-10-15(8)14-9(17-10)7-4-2-3-5-11-7/h7,11H,2-6H2,1H3
InChIKeyFROGDHMMIXLLOQ-UHFFFAOYSA-N
XLogP1.15
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(methoxymethyl)-6-pyrrolidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355290
3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353243
cyclohexyl-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methanamine
CID 114355356
2-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 114355158
6-(1-chloroethyl)-3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114356000
3-ethyl-6-pyrrolidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354016
1-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
CID 114355308
2-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-2-amine
CID 114355300
3-(methoxymethyl)-6-(3-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 106983298
3-(methoxymethyl)-6-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355187
4-chloro-3-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 82048271
6-cyclohexyl-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850485

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114355291) is 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COCc1nnc2sc(C3CCCCN3)nn12.
What is the InChIKey of 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is FROGDHMMIXLLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-16-6-8-12-13-10-15(8)14-9(17-10)7-4-2-3-5-11-7/h7,11H,2-6H2,1H3.
What are the key properties of 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 253.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114355291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).