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

C11H7N5S — CID 135657707

IUPAC6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc2[nH]c(-c3nn4cnnc4s3)cc2c1
InChIInChI=1S/C11H7N5S/c1-2-4-8-7(3-1)5-9(13-8)10-15-16-6-12-14-11(16)17-10/h1-6,13H
InChIKeyIVXKYYAUUQEXOJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.33
Rot. Bonds1

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

6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 135657707) has the molecular formula C11H7N5S and a molecular weight of 241.28 g/mol. Its IUPAC name is 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID135657707
Molecular FormulaC11H7N5S
Molecular Weight241.28 g/mol
Exact Mass241.04
IUPAC Name6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc2[nH]c(-c3nn4cnnc4s3)cc2c1
InChIInChI=1S/C11H7N5S/c1-2-4-8-7(3-1)5-9(13-8)10-15-16-6-12-14-11(16)17-10/h1-6,13H
InChIKeyIVXKYYAUUQEXOJ-UHFFFAOYSA-N
XLogP2.33
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-indol-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135657709
3-(furan-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135652795
2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole
CID 3921207
3-(1-benzofuran-2-yl)-6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135636418
4-[[6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
CID 135656929
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381
3-(1H-indol-2-yl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135652818
5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
CID 132521621
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
3-[2-(1H-indol-2-yl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 167771685
2-(1,2,4-triazin-3-yl)-1H-indole
CID 150191533
2-[1-(methoxymethyl)imidazol-4-yl]-1H-indole
CID 11075144

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 135657707) is 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc2[nH]c(-c3nn4cnnc4s3)cc2c1.
What is the InChIKey of 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is IVXKYYAUUQEXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5S/c1-2-4-8-7(3-1)5-9(13-8)10-15-16-6-12-14-11(16)17-10/h1-6,13H.
What are the key properties of 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 241.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 135657707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).