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

C11H13F3N4O2 — CID 80996400

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

2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid (PubChem CID 80996400) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid
• PubChem CID: 80996400
• Molecular Formula: C11H13F3N4O2
• Molecular Weight: 290.25 g/mol
• Exact Mass: 290.10
• IUPAC Name: 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid
• SMILES: O=C(O)C1CCC1N1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C11H13F3N4O2/c12-11(13,14)10-16-15-8-5-17(3-4-18(8)10)7-2-1-6(7)9(19)20/h6-7H,1-5H2,(H,19,20)
• InChIKey: OYFKDAFULJPYEH-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.25
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid (CID 80996400) is 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid.

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

The canonical SMILES for 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1N1CCn2c(nnc2C(F)(F)F)C1.

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

The InChIKey is OYFKDAFULJPYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)10-16-15-8-5-17(3-4-18(8)10)7-2-1-6(7)9(19)20/h6-7H,1-5H2,(H,19,20).

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

2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid has a molecular weight of 290.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80996400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).