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

C13H10F3N5O3 — CID 119186224

IUPAC6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)12-19-18-9-6-20(4-5-21(9)12)10(22)7-2-1-3-8(17-7)11(23)24/h1-3H,4-6H2,(H,23,24)
InChIKeyZRCTVZGOAAUZET-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.05
Rot. Bonds2

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

6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119186224) has the molecular formula C13H10F3N5O3 and a molecular weight of 341.25 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid
PubChem CID119186224
Molecular FormulaC13H10F3N5O3
Molecular Weight341.25 g/mol
Exact Mass341.07
IUPAC Name6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C13H10F3N5O3/c14-13(15,16)12-19-18-9-6-20(4-5-21(9)12)10(22)7-2-1-3-8(17-7)11(23)24/h1-3H,4-6H2,(H,23,24)
InChIKeyZRCTVZGOAAUZET-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 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

(4-fluorophenyl)-[3-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 177370984
Iridium;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 20807262
6-(4-{[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperazin-1-yl)pyridine-2-carboxylic acid
CID 66686706
6-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)picolinic acid
CID 67325263
5-Fluoro-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxylic acid
CID 141758862
5-Fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid
CID 151101926
3-Fluoro-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxylic acid
CID 152396276
6-(4,4-Difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid
CID 177342538
(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;pyridine-2-carboxylic acid
CID 57344639
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566906
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid
CID 119186222
5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid
CID 119845592

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid (CID 119186224) is 6-[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 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is ZRCTVZGOAAUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O3/c14-13(15,16)12-19-18-9-6-20(4-5-21(9)12)10(22)7-2-1-3-8(17-7)11(23)24/h1-3H,4-6H2,(H,23,24).
What are the key properties of 6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridine-2-carboxylic acid?
6-[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 6-[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 119186224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).