3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one

C10H8FN3O — CID 178183717

IUPAC3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one
SMILESNc1ncc(-c2ccccc2F)[nH]c1=O
InChIInChI=1S/C10H8FN3O/c11-7-4-2-1-3-6(7)8-5-13-9(12)10(15)14-8/h1-5H,(H2,12,13)(H,14,15)
InChIKeyHVPVQVOFJMIFEA-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.16
Rot. Bonds1

About 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one

3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one (PubChem CID 178183717) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one
PubChem CID178183717
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one
SMILESNc1ncc(-c2ccccc2F)[nH]c1=O
InChIInChI=1S/C10H8FN3O/c11-7-4-2-1-3-6(7)8-5-13-9(12)10(15)14-8/h1-5H,(H2,12,13)(H,14,15)
InChIKeyHVPVQVOFJMIFEA-UHFFFAOYSA-N
XLogP1.16
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one (CID 178183717) is 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one is Nc1ncc(-c2ccccc2F)[nH]c1=O.
What is the InChIKey of 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one?
The InChIKey is HVPVQVOFJMIFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-4-2-1-3-6(7)8-5-13-9(12)10(15)14-8/h1-5H,(H2,12,13)(H,14,15).
What are the key properties of 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one?
3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one has a molecular weight of 205.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 178183717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).