3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one

C12H11F2N3O — CID 115657362

IUPAC3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H11F2N3O/c13-9-5-8(6-10(14)7-9)1-2-15-11-12(18)17-4-3-16-11/h3-7H,1-2H2,(H,15,16)(H,17,18)
InChIKeyXOZBUIVVCLYCJW-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.70
Rot. Bonds4

About 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one

3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one (PubChem CID 115657362) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one
PubChem CID115657362
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H11F2N3O/c13-9-5-8(6-10(14)7-9)1-2-15-11-12(18)17-4-3-16-11/h3-7H,1-2H2,(H,15,16)(H,17,18)
InChIKeyXOZBUIVVCLYCJW-UHFFFAOYSA-N
XLogP1.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine
CID 106570305
3-[2-(4-fluorophenyl)ethylamino]-1H-pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 162324418
4-[2-(3,5-difluorophenyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956551
3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
CID 103702655
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyrazin-2-amine
CID 62615088
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
3-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrazin-2-one
CID 103081364
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
2-[2-[(2-oxo-1H-pyrazin-3-yl)amino]ethyl]benzoic acid
CID 114570497
6-chloro-N-[2-(3,5-difluorophenyl)ethyl]-5-nitropyrimidin-4-amine
CID 62614734
3,5-dibromo-N-[2-(3,5-difluorophenyl)ethyl]pyridin-2-amine
CID 113413696

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one (CID 115657362) is 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one is O=c1[nH]ccnc1NCCc1cc(F)cc(F)c1.
What is the InChIKey of 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one?
The InChIKey is XOZBUIVVCLYCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-9-5-8(6-10(14)7-9)1-2-15-11-12(18)17-4-3-16-11/h3-7H,1-2H2,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one?
3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one has a molecular weight of 251.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-difluorophenyl)ethylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 115657362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).