6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H16FN5S — CID 106326077

IUPAC6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc2nc(NCCN3CCSCC3)nn2c1
InChIInChI=1S/C12H16FN5S/c13-10-1-2-11-15-12(16-18(11)9-10)14-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,14,16)
InChIKeyIXZXXRPUQKIQFS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.33
Rot. Bonds4

About 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106326077) has the molecular formula C12H16FN5S and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106326077
Molecular FormulaC12H16FN5S
Molecular Weight281.36 g/mol
Exact Mass281.11
IUPAC Name6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc2nc(NCCN3CCSCC3)nn2c1
InChIInChI=1S/C12H16FN5S/c13-10-1-2-11-15-12(16-18(11)9-10)14-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,14,16)
InChIKeyIXZXXRPUQKIQFS-UHFFFAOYSA-N
XLogP1.33
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106326077) is 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1ccc2nc(NCCN3CCSCC3)nn2c1.
What is the InChIKey of 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IXZXXRPUQKIQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5S/c13-10-1-2-11-15-12(16-18(11)9-10)14-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,14,16).
What are the key properties of 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-thiomorpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106326077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).