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

C12H15F3N4O2 — CID 64578506

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

2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentane-1-carboxylic acid (PubChem CID 64578506) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentane-1-carboxylic acid
• PubChem CID: 64578506
• Molecular Formula: C12H15F3N4O2
• Molecular Weight: 304.27 g/mol
• Exact Mass: 304.11
• IUPAC Name: 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentane-1-carboxylic acid
• SMILES: O=C(O)C1CCCC1N1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C12H15F3N4O2/c13-12(14,15)11-17-16-9-6-18(4-5-19(9)11)8-3-1-2-7(8)10(20)21/h7-8H,1-6H2,(H,20,21)
• InChIKey: ITBSBRKKQLIWGO-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.27
LogP ≤ 5	1.37
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]cyclopentane-1-carboxylic acid?

The IUPAC name of 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentane-1-carboxylic acid (CID 64578506) is 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentane-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]cyclopentane-1-carboxylic acid?

The canonical SMILES for 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1N1CCn2c(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]cyclopentane-1-carboxylic acid?

The InChIKey is ITBSBRKKQLIWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)11-17-16-9-6-18(4-5-19(9)11)8-3-1-2-7(8)10(20)21/h7-8H,1-6H2,(H,20,21).

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

2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentane-1-carboxylic acid has a molecular weight of 304.27 g/mol, XLogP of 1.37, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64578506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).