2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine

C7H8F3N5S — CID 114351983

IUPAC2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
SMILESCc1nnc2sc(CNCC(F)(F)F)nn12
InChIInChI=1S/C7H8F3N5S/c1-4-12-13-6-15(4)14-5(16-6)2-11-3-7(8,9)10/h11H,2-3H2,1H3
InChIKeyPTESTVKQFZVNLS-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.15
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine (PubChem CID 114351983) has the molecular formula C7H8F3N5S and a molecular weight of 251.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
PubChem CID114351983
Molecular FormulaC7H8F3N5S
Molecular Weight251.24 g/mol
Exact Mass251.05
IUPAC Name2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
SMILESCc1nnc2sc(CNCC(F)(F)F)nn12
InChIInChI=1S/C7H8F3N5S/c1-4-12-13-6-15(4)14-5(16-6)2-11-3-7(8,9)10/h11H,2-3H2,1H3
InChIKeyPTESTVKQFZVNLS-UHFFFAOYSA-N
XLogP1.15
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine 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 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine (CID 114351983) is 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine is Cc1nnc2sc(CNCC(F)(F)F)nn12.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine?
The InChIKey is PTESTVKQFZVNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5S/c1-4-12-13-6-15(4)14-5(16-6)2-11-3-7(8,9)10/h11H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine has a molecular weight of 251.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine is sourced from PubChem (CID 114351983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).