2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline

C10H8FN5S — CID 114352034

IUPAC2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
SMILESCc1nnc2sc(-c3cccc(F)c3N)nn12
InChIInChI=1S/C10H8FN5S/c1-5-13-14-10-16(5)15-9(17-10)6-3-2-4-7(11)8(6)12/h2-4H,12H2,1H3
InChIKeyFHQAJGBOEQIMEV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.88
Rot. Bonds1

About 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline

2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline (PubChem CID 114352034) has the molecular formula C10H8FN5S and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
PubChem CID114352034
Molecular FormulaC10H8FN5S
Molecular Weight249.27 g/mol
Exact Mass249.05
IUPAC Name2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
SMILESCc1nnc2sc(-c3cccc(F)c3N)nn12
InChIInChI=1S/C10H8FN5S/c1-5-13-14-10-16(5)15-9(17-10)6-3-2-4-7(11)8(6)12/h2-4H,12H2,1H3
InChIKeyFHQAJGBOEQIMEV-UHFFFAOYSA-N
XLogP1.88
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The IUPAC name of 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline (CID 114352034) is 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The canonical SMILES for 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline is Cc1nnc2sc(-c3cccc(F)c3N)nn12.
What is the InChIKey of 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The InChIKey is FHQAJGBOEQIMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5S/c1-5-13-14-10-16(5)15-9(17-10)6-3-2-4-7(11)8(6)12/h2-4H,12H2,1H3.
What are the key properties of 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline has a molecular weight of 249.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline is sourced from PubChem (CID 114352034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).