1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one

C7H8F3N3O — CID 130538472

IUPAC1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one
SMILESNCC(n1ccncc1=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5(3-11)13-2-1-12-4-6(13)14/h1-2,4-5H,3,11H2
InChIKeyUGEYQMCOPAUYPL-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.31
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one

1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one (PubChem CID 130538472) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one
PubChem CID130538472
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one
SMILESNCC(n1ccncc1=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5(3-11)13-2-1-12-4-6(13)14/h1-2,4-5H,3,11H2
InChIKeyUGEYQMCOPAUYPL-UHFFFAOYSA-N
XLogP0.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Aminopropyl)pyrazin-2-one
CID 130538500
1-[(2R)-2-aminopropyl]pyrazin-2-one
CID 130538502
1-(2-Aminobutyl)pyrazin-2-one
CID 130538504
1-(1-Aminobutan-2-yl)pyrazin-2-one
CID 172415431
1-(3-Aminobutan-2-yl)pyrazin-2-one
CID 172415432
1-(1-Aminopropan-2-yl)pyrazin-2-one
CID 172415434

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one (CID 130538472) is 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one is NCC(n1ccncc1=O)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one?
The InChIKey is UGEYQMCOPAUYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)5(3-11)13-2-1-12-4-6(13)14/h1-2,4-5H,3,11H2.
What are the key properties of 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one?
1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one has a molecular weight of 207.16 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrazin-2-one is sourced from PubChem (CID 130538472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).