3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one

C11H9F2N3O — CID 53015115

IUPAC3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one
SMILESNc1nccn(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C11H9F2N3O/c12-8-2-1-7(9(13)5-8)6-16-4-3-15-10(14)11(16)17/h1-5H,6H2,(H2,14,15)
InChIKeyYKRXUCDVQGFEOS-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.15
Rot. Bonds2

About 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one

3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one (PubChem CID 53015115) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one
PubChem CID53015115
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one
SMILESNc1nccn(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C11H9F2N3O/c12-8-2-1-7(9(13)5-8)6-16-4-3-15-10(14)11(16)17/h1-5H,6H2,(H2,14,15)
InChIKeyYKRXUCDVQGFEOS-UHFFFAOYSA-N
XLogP1.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one?
The IUPAC name of 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one (CID 53015115) is 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one.
What is the SMILES notation for 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one?
The canonical SMILES for 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one is Nc1nccn(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one?
The InChIKey is YKRXUCDVQGFEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-8-2-1-7(9(13)5-8)6-16-4-3-15-10(14)11(16)17/h1-5H,6H2,(H2,14,15).
What are the key properties of 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one?
3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one has a molecular weight of 237.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2,4-difluorophenyl)methyl]pyrazin-2-one is sourced from PubChem (CID 53015115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).