6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride

C16H11ClFN5S — CID 171151734

About 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride

6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride (PubChem CID 171151734) has the molecular formula C16H11ClFN5S and a molecular weight of 359.82 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride.

Molecular Properties

• Compound Name: 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride
• PubChem CID: 171151734
• Molecular Formula: C16H11ClFN5S
• Molecular Weight: 359.82 g/mol
• Exact Mass: 359.04
• IUPAC Name: 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride
• SMILES: Cl.Fc1ccccc1C=Cc1nn2c(-c3cccnc3)nnc2s1
• InChI: InChI=1S/C16H10FN5S.ClH/c17-13-6-2-1-4-11(13)7-8-14-21-22-15(19-20-16(22)23-14)12-5-3-9-18-10-12;/h1-10H;1H
• InChIKey: HGLCJILPVOKVTM-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 55.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.82
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride?

The IUPAC name of 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride (CID 171151734) is 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride.

What is the SMILES notation for 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride?

The canonical SMILES for 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride is Cl.Fc1ccccc1C=Cc1nn2c(-c3cccnc3)nnc2s1.

What is the InChIKey of 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride?

The InChIKey is HGLCJILPVOKVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5S.ClH/c17-13-6-2-1-4-11(13)7-8-14-21-22-15(19-20-16(22)23-14)12-5-3-9-18-10-12;/h1-10H;1H.

What are the key properties of 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride?

6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride has a molecular weight of 359.82 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride is sourced from PubChem (CID 171151734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).