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

C7H5F3N4O3 — CID 68523515

IUPAC8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2nc(C(F)(F)F)nc2C1=O
InChIInChI=1S/C7H5F3N4O3/c8-7(9,10)5-11-3-4(15)13(6(16)17)1-2-14(3)12-5/h1-2H2,(H,16,17)
InChIKeyVMUWONMARZQWRB-UHFFFAOYSA-N
MW250.14 g/mol
LogP0.43
Rot. Bonds

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

8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 68523515) has the molecular formula C7H5F3N4O3 and a molecular weight of 250.14 g/mol. Its IUPAC name is 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID68523515
Molecular FormulaC7H5F3N4O3
Molecular Weight250.14 g/mol
Exact Mass250.03
IUPAC Name8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2nc(C(F)(F)F)nc2C1=O
InChIInChI=1S/C7H5F3N4O3/c8-7(9,10)5-11-3-4(15)13(6(16)17)1-2-14(3)12-5/h1-2H2,(H,16,17)
InChIKeyVMUWONMARZQWRB-UHFFFAOYSA-N
XLogP0.43
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid
CID 68523102
8-Oxo-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
CID 68523452
Tert-butyl 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
CID 68523653
2-(Trifluoromethyl)-6,7-dihydro-[1,2,4]triazolo[1,5-A]pyrazin-8(5H)-one
CID 68524297
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
CID 68524743
tert-Butyl 8-Oxo-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 68525157
1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 89583881
[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]carbamic acid
CID 169791276
2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid
CID 64575096
2-[methyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid
CID 64576802
2-[6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264663
4-(2,2,2-trifluoroacetyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 165912062

Frequently Asked Questions

What is the IUPAC name of 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid (CID 68523515) is 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid is O=C(O)N1CCn2nc(C(F)(F)F)nc2C1=O.
What is the InChIKey of 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is VMUWONMARZQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O3/c8-7(9,10)5-11-3-4(15)13(6(16)17)1-2-14(3)12-5/h1-2H2,(H,16,17).
What are the key properties of 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid?
8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 250.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-2-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 68523515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).