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

C9H10F3N3O2 — CID 82383207

IUPAC2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid
SMILESO=C(O)CC1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)8-14-13-6-3-5(4-7(16)17)1-2-15(6)8/h5H,1-4H2,(H,16,17)
InChIKeyQQQSYMFPJKIQGP-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.33
Rot. Bonds2

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

2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid (PubChem CID 82383207) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid
PubChem CID82383207
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid
SMILESO=C(O)CC1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)8-14-13-6-3-5(4-7(16)17)1-2-15(6)8/h5H,1-4H2,(H,16,17)
InChIKeyQQQSYMFPJKIQGP-UHFFFAOYSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic 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 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid?
The IUPAC name of 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid (CID 82383207) is 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid is O=C(O)CC1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid?
The InChIKey is QQQSYMFPJKIQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)8-14-13-6-3-5(4-7(16)17)1-2-15(6)8/h5H,1-4H2,(H,16,17).
What are the key properties of 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid?
2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid has a molecular weight of 249.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]acetic acid is sourced from PubChem (CID 82383207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).