1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one

C15H16F3N3O2 — CID 95781672

IUPAC1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one
SMILESC[C@@H](COc1ccccc1C(F)(F)F)Nc1nccn(C)c1=O
InChIInChI=1S/C15H16F3N3O2/c1-10(20-13-14(22)21(2)8-7-19-13)9-23-12-6-4-3-5-11(12)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyOATKRBKOCRHUQA-JTQLQIEISA-N
MW327.31 g/mol
LogP2.68
Rot. Bonds5

About 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one

1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one (PubChem CID 95781672) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one
PubChem CID95781672
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one
SMILESC[C@@H](COc1ccccc1C(F)(F)F)Nc1nccn(C)c1=O
InChIInChI=1S/C15H16F3N3O2/c1-10(20-13-14(22)21(2)8-7-19-13)9-23-12-6-4-3-5-11(12)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyOATKRBKOCRHUQA-JTQLQIEISA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one (CID 95781672) is 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one is C[C@@H](COc1ccccc1C(F)(F)F)Nc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one?
The InChIKey is OATKRBKOCRHUQA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10(20-13-14(22)21(2)8-7-19-13)9-23-12-6-4-3-5-11(12)15(16,17)18/h3-8,10H,9H2,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one?
1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one has a molecular weight of 327.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(2S)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]amino]pyrazin-2-one is sourced from PubChem (CID 95781672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).