3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one

C14H15F2N3O — CID 63795521

IUPAC3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cc(F)ccc2F)c1=O
InChIInChI=1S/C14H15F2N3O/c1-2-6-19-7-5-17-13(14(19)20)18-9-10-8-11(15)3-4-12(10)16/h3-5,7-8H,2,6,9H2,1H3,(H,17,18)
InChIKeySDEKJNRDEQHTIR-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.54
Rot. Bonds5

About 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one

3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 63795521) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
PubChem CID63795521
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cc(F)ccc2F)c1=O
InChIInChI=1S/C14H15F2N3O/c1-2-6-19-7-5-17-13(14(19)20)18-9-10-8-11(15)3-4-12(10)16/h3-5,7-8H,2,6,9H2,1H3,(H,17,18)
InChIKeySDEKJNRDEQHTIR-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62927452
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
4-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 63359624
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one (CID 63795521) is 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2cc(F)ccc2F)c1=O.
What is the InChIKey of 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is SDEKJNRDEQHTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-6-19-7-5-17-13(14(19)20)18-9-10-8-11(15)3-4-12(10)16/h3-5,7-8H,2,6,9H2,1H3,(H,17,18).
What are the key properties of 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one?
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 279.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 63795521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).