1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one

C13H12F3N3O — CID 84597024

IUPAC1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one
SMILESCN(Cc1cc(F)c(F)c(F)c1)c1nccn(C)c1=O
InChIInChI=1S/C13H12F3N3O/c1-18-4-3-17-12(13(18)20)19(2)7-8-5-9(14)11(16)10(15)6-8/h3-6H,7H2,1-2H3
InChIKeyUSYSVOMLFCQGFZ-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.83
Rot. Bonds3

About 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one

1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one (PubChem CID 84597024) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one
PubChem CID84597024
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one
SMILESCN(Cc1cc(F)c(F)c(F)c1)c1nccn(C)c1=O
InChIInChI=1S/C13H12F3N3O/c1-18-4-3-17-12(13(18)20)19(2)7-8-5-9(14)11(16)10(15)6-8/h3-6H,7H2,1-2H3
InChIKeyUSYSVOMLFCQGFZ-UHFFFAOYSA-N
XLogP1.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one (CID 84597024) is 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one is CN(Cc1cc(F)c(F)c(F)c1)c1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one?
The InChIKey is USYSVOMLFCQGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-18-4-3-17-12(13(18)20)19(2)7-8-5-9(14)11(16)10(15)6-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one?
1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one has a molecular weight of 283.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]pyrazin-2-one is sourced from PubChem (CID 84597024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).