1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one

C16H23F3N6O2 — CID 66969972

About 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one

1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one (PubChem CID 66969972) has the molecular formula C16H23F3N6O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one
• PubChem CID: 66969972
• Molecular Formula: C16H23F3N6O2
• Molecular Weight: 388.39 g/mol
• Exact Mass: 388.18
• IUPAC Name: 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one
• SMILES: CC1(C)CC(=O)N(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
• InChI: InChI=1S/C16H23F3N6O2/c1-15(2)6-13(27)24(9-15)7-10(20)5-12(26)23-3-4-25-11(8-23)21-22-14(25)16(17,18)19/h10H,3-9,20H2,1-2H3/t10-/m0/s1
• InChIKey: CXWZGRYFKBYTMM-JTQLQIEISA-N
• XLogP: 0.62
• TPSA: 97.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.39
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one (CID 66969972) is 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one.

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

The canonical SMILES for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one is CC1(C)CC(=O)N(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1.

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

The InChIKey is CXWZGRYFKBYTMM-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23F3N6O2/c1-15(2)6-13(27)24(9-15)7-10(20)5-12(26)23-3-4-25-11(8-23)21-22-14(25)16(17,18)19/h10H,3-9,20H2,1-2H3/t10-/m0/s1.

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

1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one has a molecular weight of 388.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 66969972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).