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

C11H17N5S — CID 114354674

IUPAC6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1nnc2sc(C3(C)CCCN3)nn12
InChIInChI=1S/C11H17N5S/c1-7(2)8-13-14-10-16(8)15-9(17-10)11(3)5-4-6-12-11/h7,12H,4-6H2,1-3H3
InChIKeyCAHBHZJIQQQVJT-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.91
Rot. Bonds2

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

6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114354674) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114354674
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC(C)c1nnc2sc(C3(C)CCCN3)nn12
InChIInChI=1S/C11H17N5S/c1-7(2)8-13-14-10-16(8)15-9(17-10)11(3)5-4-6-12-11/h7,12H,4-6H2,1-3H3
InChIKeyCAHBHZJIQQQVJT-UHFFFAOYSA-N
XLogP1.91
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114354674) is 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC(C)c1nnc2sc(C3(C)CCCN3)nn12.
What is the InChIKey of 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is CAHBHZJIQQQVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(2)8-13-14-10-16(8)15-9(17-10)11(3)5-4-6-12-11/h7,12H,4-6H2,1-3H3.
What are the key properties of 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 251.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrrolidin-2-yl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114354674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).