2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid

C7H7F3N4O2 — CID 84699244

IUPAC2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1Cn2nc(C(F)(F)F)nc2CN1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)6-12-4-1-11-3(5(15)16)2-14(4)13-6/h3,11H,1-2H2,(H,15,16)
InChIKeyIZKTUKIOUULHLI-UHFFFAOYSA-N
MW236.15 g/mol
LogP-0.15
Rot. Bonds1

About 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid

2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid (PubChem CID 84699244) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid
PubChem CID84699244
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Name2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1Cn2nc(C(F)(F)F)nc2CN1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)6-12-4-1-11-3(5(15)16)2-14(4)13-6/h3,11H,1-2H2,(H,15,16)
InChIKeyIZKTUKIOUULHLI-UHFFFAOYSA-N
XLogP-0.15
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid dihydrochloride
CID 132323943
sodium 5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine-8-carboxylate
CID 167724266
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
CID 123599709
2-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64574917
3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]propanoic acid
CID 64576803
2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]propanoic acid
CID 64576992
(2R)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]propanoic acid
CID 64576993
methyl 2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoate
CID 64577865
2-amino-2-methyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64578058
2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64578449
2-(ethylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64578646
2-methyl-2-(methylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64579035

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid (CID 84699244) is 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid is O=C(O)C1Cn2nc(C(F)(F)F)nc2CN1.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid?
The InChIKey is IZKTUKIOUULHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c8-7(9,10)6-12-4-1-11-3(5(15)16)2-14(4)13-6/h3,11H,1-2H2,(H,15,16).
What are the key properties of 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid?
2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 84699244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).