3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid

C10H12F3N3O2 — CID 83964829

IUPAC3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid
SMILESO=C(O)CCc1nc2n(n1)CC(C(F)(F)F)CC2
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)6-1-3-8-14-7(2-4-9(17)18)15-16(8)5-6/h6H,1-5H2,(H,17,18)
InChIKeyYFMICTJMQLKSAS-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.42
Rot. Bonds3

About 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid

3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid (PubChem CID 83964829) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid
PubChem CID83964829
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid
SMILESO=C(O)CCc1nc2n(n1)CC(C(F)(F)F)CC2
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)6-1-3-8-14-7(2-4-9(17)18)15-16(8)5-6/h6H,1-5H2,(H,17,18)
InChIKeyYFMICTJMQLKSAS-UHFFFAOYSA-N
XLogP1.42
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid 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 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid (CID 83964829) is 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid is O=C(O)CCc1nc2n(n1)CC(C(F)(F)F)CC2.
What is the InChIKey of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid?
The InChIKey is YFMICTJMQLKSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)6-1-3-8-14-7(2-4-9(17)18)15-16(8)5-6/h6H,1-5H2,(H,17,18).
What are the key properties of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid?
3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid has a molecular weight of 263.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 83964829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).