7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C9H15F3N4O — CID 79092236

IUPAC7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCC(N1CCN2C(=O)NCC2C1)C(F)(F)F
InChIInChI=1S/C9H15F3N4O/c10-9(11,12)7(3-13)15-1-2-16-6(5-15)4-14-8(16)17/h6-7H,1-5,13H2,(H,14,17)
InChIKeyBYXTXTIAYGPBTB-UHFFFAOYSA-N
MW252.24 g/mol
LogP-0.41
Rot. Bonds2

About 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79092236) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79092236
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCC(N1CCN2C(=O)NCC2C1)C(F)(F)F
InChIInChI=1S/C9H15F3N4O/c10-9(11,12)7(3-13)15-1-2-16-6(5-15)4-14-8(16)17/h6-7H,1-5,13H2,(H,14,17)
InChIKeyBYXTXTIAYGPBTB-UHFFFAOYSA-N
XLogP-0.41
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79092236) is 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NCC(N1CCN2C(=O)NCC2C1)C(F)(F)F.
What is the InChIKey of 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is BYXTXTIAYGPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c10-9(11,12)7(3-13)15-1-2-16-6(5-15)4-14-8(16)17/h6-7H,1-5,13H2,(H,14,17).
What are the key properties of 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 252.24 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-1,1,1-trifluoropropan-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79092236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).