2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid

C8H7F3N4O3 — CID 64575096

About 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid

2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid (PubChem CID 64575096) has the molecular formula C8H7F3N4O3 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid.

Molecular Properties

• Compound Name: 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid
• PubChem CID: 64575096
• Molecular Formula: C8H7F3N4O3
• Molecular Weight: 264.16 g/mol
• Exact Mass: 264.05
• IUPAC Name: 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid
• SMILES: O=C(O)C(=O)N1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C8H7F3N4O3/c9-8(10,11)7-13-12-4-3-14(1-2-15(4)7)5(16)6(17)18/h1-3H2,(H,17,18)
• InChIKey: ZUFURXLNXLRGHO-UHFFFAOYSA-N
• XLogP: -0.28
• TPSA: 88.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.16
LogP ≤ 5	-0.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid?

The IUPAC name of 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid (CID 64575096) is 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid.

What is the SMILES notation for 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid?

The canonical SMILES for 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid is O=C(O)C(=O)N1CCn2c(nnc2C(F)(F)F)C1.

What is the InChIKey of 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid?

The InChIKey is ZUFURXLNXLRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O3/c9-8(10,11)7-13-12-4-3-14(1-2-15(4)7)5(16)6(17)18/h1-3H2,(H,17,18).

What are the key properties of 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid?

2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid has a molecular weight of 264.16 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid is sourced from PubChem (CID 64575096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).