2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride

C25H25ClF6N6O2 — CID 56639637

About 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride

2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride (PubChem CID 56639637) has the molecular formula C25H25ClF6N6O2 and a molecular weight of 590.96 g/mol. Its IUPAC name is 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride
• PubChem CID: 56639637
• Molecular Formula: C25H25ClF6N6O2
• Molecular Weight: 590.96 g/mol
• Exact Mass: 590.16
• IUPAC Name: 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride
• SMILES: Cl.NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/C25H24F6N6O2.ClH/c26-17-12-19(28)18(27)10-15(17)9-16(33-23(39)20(32)8-14-4-2-1-3-5-14)11-22(38)36-6-7-37-21(13-36)34-35-24(37)25(29,30)31;/h1-5,10,12,16,20H,6-9,11,13,32H2,(H,33,39);1H/t16-,20?;/m1./s1
• InChIKey: LZDQVWZJBLFZSN-SSEZRWRESA-N
• XLogP: 3.17
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.96
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride?

The IUPAC name of 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride (CID 56639637) is 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride?

The InChIKey is LZDQVWZJBLFZSN-SSEZRWRESA-N. The full InChI is InChI=1S/C25H24F6N6O2.ClH/c26-17-12-19(28)18(27)10-15(17)9-16(33-23(39)20(32)8-14-4-2-1-3-5-14)11-22(38)36-6-7-37-21(13-36)34-35-24(37)25(29,30)31;/h1-5,10,12,16,20H,6-9,11,13,32H2,(H,33,39);1H/t16-,20?;/m1./s1.

What are the key properties of 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride?

2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride has a molecular weight of 590.96 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 56639637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).