3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C12H7N5S — CID 142718757

IUPAC3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc2nc(-c3nnc4scnn34)ccc2c1
InChIInChI=1S/C12H7N5S/c1-2-4-9-8(3-1)5-6-10(14-9)11-15-16-12-17(11)13-7-18-12/h1-7H
InChIKeyUYCILAPWFBZMMM-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.40
Rot. Bonds1

About 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 142718757) has the molecular formula C12H7N5S and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID142718757
Molecular FormulaC12H7N5S
Molecular Weight253.29 g/mol
Exact Mass253.04
IUPAC Name3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc2nc(-c3nnc4scnn34)ccc2c1
InChIInChI=1S/C12H7N5S/c1-2-4-9-8(3-1)5-6-10(14-9)11-15-16-12-17(11)13-7-18-12/h1-7H
InChIKeyUYCILAPWFBZMMM-UHFFFAOYSA-N
XLogP2.40
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(Z)-2-phenylethenyl]-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 98361777
3-phenyl-6-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16765074
2-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393314
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-(5-quinolin-2-yltetrazol-1-yl)ethanamine
CID 63222687
iridium;tris(2-phenylquinoline)
CID 122129463
3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid
CID 66043212
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
CID 115395568
4-quinolin-2-yl-1,3-benzothiazole
CID 54266473
2,4-dimethyl-5-quinolin-2-yl-1,2,4-triazole-3-thione
CID 46238049
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
4-propan-2-yl-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
CID 115389976

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 142718757) is 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc2nc(-c3nnc4scnn34)ccc2c1.
What is the InChIKey of 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is UYCILAPWFBZMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5S/c1-2-4-9-8(3-1)5-6-10(14-9)11-15-16-12-17(11)13-7-18-12/h1-7H.
What are the key properties of 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 253.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 142718757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).