3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one

C8H10F3N3O — CID 115898926

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one
SMILESCN(CCC(F)(F)F)c1ncc[nH]c1=O
InChIInChI=1S/C8H10F3N3O/c1-14(5-2-8(9,10)11)6-7(15)13-4-3-12-6/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyZZPIPFPGEJOWMO-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.16
Rot. Bonds3

About 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one

3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one (PubChem CID 115898926) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one
PubChem CID115898926
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one
SMILESCN(CCC(F)(F)F)c1ncc[nH]c1=O
InChIInChI=1S/C8H10F3N3O/c1-14(5-2-8(9,10)11)6-7(15)13-4-3-12-6/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyZZPIPFPGEJOWMO-UHFFFAOYSA-N
XLogP1.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one (CID 115898926) is 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one is CN(CCC(F)(F)F)c1ncc[nH]c1=O.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one?
The InChIKey is ZZPIPFPGEJOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-14(5-2-8(9,10)11)6-7(15)13-4-3-12-6/h3-4H,2,5H2,1H3,(H,13,15).
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one?
3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 115898926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).