3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

C9H6FN5S — CID 23006534

IUPAC3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESNc1nn2c(-c3ccc(F)cc3)nnc2s1
InChIInChI=1S/C9H6FN5S/c10-6-3-1-5(2-4-6)7-12-13-9-15(7)14-8(11)16-9/h1-4H,(H2,11,14)
InChIKeyYSEHZOUICRNPIZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.57
Rot. Bonds1

About 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 23006534) has the molecular formula C9H6FN5S and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID23006534
Molecular FormulaC9H6FN5S
Molecular Weight235.25 g/mol
Exact Mass235.03
IUPAC Name3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESNc1nn2c(-c3ccc(F)cc3)nnc2s1
InChIInChI=1S/C9H6FN5S/c10-6-3-1-5(2-4-6)7-12-13-9-15(7)14-8(11)16-9/h1-4H,(H2,11,14)
InChIKeyYSEHZOUICRNPIZ-UHFFFAOYSA-N
XLogP1.57
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 23006534) is 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is Nc1nn2c(-c3ccc(F)cc3)nnc2s1.
What is the InChIKey of 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is YSEHZOUICRNPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN5S/c10-6-3-1-5(2-4-6)7-12-13-9-15(7)14-8(11)16-9/h1-4H,(H2,11,14).
What are the key properties of 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 235.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 23006534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).