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

C8H11N5S — CID 114352291

IUPAC6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1CNCC1c1nn2cnnc2s1
InChIInChI=1S/C8H11N5S/c1-5-2-9-3-6(5)7-12-13-4-10-11-8(13)14-7/h4-6,9H,2-3H2,1H3
InChIKeyHEBARVWEWMGUJB-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.51
Rot. Bonds1

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

6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114352291) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114352291
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1CNCC1c1nn2cnnc2s1
InChIInChI=1S/C8H11N5S/c1-5-2-9-3-6(5)7-12-13-4-10-11-8(13)14-7/h4-6,9H,2-3H2,1H3
InChIKeyHEBARVWEWMGUJB-UHFFFAOYSA-N
XLogP0.51
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114352291) is 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC1CNCC1c1nn2cnnc2s1.
What is the InChIKey of 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is HEBARVWEWMGUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-2-9-3-6(5)7-12-13-4-10-11-8(13)14-7/h4-6,9H,2-3H2,1H3.
What are the key properties of 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 209.28 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114352291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).