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

C14H8FN5S — CID 16764758

IUPAC6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1
InChIInChI=1S/C14H8FN5S/c15-10-5-3-4-9(8-10)13-19-20-12(17-18-14(20)21-13)11-6-1-2-7-16-11/h1-8H
InChIKeySGXDRXUVSBQZJR-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.05
Rot. Bonds2

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

6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 16764758) has the molecular formula C14H8FN5S and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID16764758
Molecular FormulaC14H8FN5S
Molecular Weight297.32 g/mol
Exact Mass297.05
IUPAC Name6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1
InChIInChI=1S/C14H8FN5S/c15-10-5-3-4-9(8-10)13-19-20-12(17-18-14(20)21-13)11-6-1-2-7-16-11/h1-8H
InChIKeySGXDRXUVSBQZJR-UHFFFAOYSA-N
XLogP3.05
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 16764758) is 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Fc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1.
What is the InChIKey of 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is SGXDRXUVSBQZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5S/c15-10-5-3-4-9(8-10)13-19-20-12(17-18-14(20)21-13)11-6-1-2-7-16-11/h1-8H.
What are the key properties of 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 297.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 16764758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).