6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H9FN4S — CID 3595954

IUPAC6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1
InChIInChI=1S/C15H9FN4S/c16-12-8-4-7-11(9-12)14-19-20-13(17-18-15(20)21-14)10-5-2-1-3-6-10/h1-9H
InChIKeyZVOKHAPDOQUTCM-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.66
Rot. Bonds2

About 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 3595954) has the molecular formula C15H9FN4S and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID3595954
Molecular FormulaC15H9FN4S
Molecular Weight296.33 g/mol
Exact Mass296.05
IUPAC Name6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1
InChIInChI=1S/C15H9FN4S/c16-12-8-4-7-11(9-12)14-19-20-13(17-18-15(20)21-14)10-5-2-1-3-6-10/h1-9H
InChIKeyZVOKHAPDOQUTCM-UHFFFAOYSA-N
XLogP3.66
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 3595954) is 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1.
What is the InChIKey of 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZVOKHAPDOQUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4S/c16-12-8-4-7-11(9-12)14-19-20-13(17-18-15(20)21-14)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 296.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 3595954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).