(2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one

C9H12F3N5O — CID 64576370

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

(2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one (PubChem CID 64576370) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

• Compound Name: (2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
• PubChem CID: 64576370
• Molecular Formula: C9H12F3N5O
• Molecular Weight: 263.22 g/mol
• Exact Mass: 263.10
• IUPAC Name: (2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
• SMILES: C[C@@H](N)C(=O)N1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C9H12F3N5O/c1-5(13)7(18)16-2-3-17-6(4-16)14-15-8(17)9(10,11)12/h5H,2-4,13H2,1H3/t5-/m1/s1
• InChIKey: FKHHZFQIDZJCJT-RXMQYKEDSA-N
• XLogP: -0.01
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.22
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one (CID 64576370) is (2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one.

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

The canonical SMILES for (2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one is C[C@@H](N)C(=O)N1CCn2c(nnc2C(F)(F)F)C1.

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

The InChIKey is FKHHZFQIDZJCJT-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12F3N5O/c1-5(13)7(18)16-2-3-17-6(4-16)14-15-8(17)9(10,11)12/h5H,2-4,13H2,1H3/t5-/m1/s1.

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

(2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one has a molecular weight of 263.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 64576370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).