3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one

C13H13F2N3O — CID 62927930

IUPAC3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2ccc(F)cc2F)c1=O
InChIInChI=1S/C13H13F2N3O/c1-2-18-6-5-16-12(13(18)19)17-8-9-3-4-10(14)7-11(9)15/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyIOZGFOKHNHXUSM-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.15
Rot. Bonds4

About 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one

3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one (PubChem CID 62927930) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
PubChem CID62927930
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCc2ccc(F)cc2F)c1=O
InChIInChI=1S/C13H13F2N3O/c1-2-18-6-5-16-12(13(18)19)17-8-9-3-4-10(14)7-11(9)15/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyIOZGFOKHNHXUSM-UHFFFAOYSA-N
XLogP2.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one (CID 62927930) is 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NCc2ccc(F)cc2F)c1=O.
What is the InChIKey of 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one?
The InChIKey is IOZGFOKHNHXUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-2-18-6-5-16-12(13(18)19)17-8-9-3-4-10(14)7-11(9)15/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one?
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one has a molecular weight of 265.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62927930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).