4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid

C13H10F3N5O3 — CID 119186222

IUPAC4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)ccn1
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)12-19-18-9-6-20(3-4-21(9)12)10(22)7-1-2-17-8(5-7)11(23)24/h1-2,5H,3-4,6H2,(H,23,24)
InChIKeyQNIPEUUPKQRWSG-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.05
Rot. Bonds2

About 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid

4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119186222) has the molecular formula C13H10F3N5O3 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid
PubChem CID119186222
Molecular FormulaC13H10F3N5O3
Molecular Weight341.25 g/mol
Exact Mass341.07
IUPAC Name4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)ccn1
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)12-19-18-9-6-20(3-4-21(9)12)10(22)7-1-2-17-8(5-7)11(23)24/h1-2,5H,3-4,6H2,(H,23,24)
InChIKeyQNIPEUUPKQRWSG-UHFFFAOYSA-N
XLogP1.05
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic 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 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid (CID 119186222) is 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)ccn1.
What is the InChIKey of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is QNIPEUUPKQRWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O3/c14-13(15,16)12-19-18-9-6-20(3-4-21(9)12)10(22)7-1-2-17-8(5-7)11(23)24/h1-2,5H,3-4,6H2,(H,23,24).
What are the key properties of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid?
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 341.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119186222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).