3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one

C10H8FN3O2 — CID 114570857

IUPAC3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
SMILESNc1ccc(Oc2ncc[nH]c2=O)cc1F
InChIInChI=1S/C10H8FN3O2/c11-7-5-6(1-2-8(7)12)16-10-9(15)13-3-4-14-10/h1-5H,12H2,(H,13,15)
InChIKeyWBXSHHSTJSHPHD-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.28
Rot. Bonds2

About 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one

3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one (PubChem CID 114570857) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
PubChem CID114570857
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
SMILESNc1ccc(Oc2ncc[nH]c2=O)cc1F
InChIInChI=1S/C10H8FN3O2/c11-7-5-6(1-2-8(7)12)16-10-9(15)13-3-4-14-10/h1-5H,12H2,(H,13,15)
InChIKeyWBXSHHSTJSHPHD-UHFFFAOYSA-N
XLogP1.28
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenoxy)-1H-pyrazin-2-one
CID 103241140
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
3-(2-fluoro-5-methylphenoxy)-1H-pyrazin-2-one
CID 103241750
3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
CID 114570741
3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one
CID 114570862
3-[4-(hydroxymethyl)phenoxy]-1H-pyrazin-2-one
CID 114571100
3-[3-(dimethylamino)phenoxy]-1H-pyrazin-2-one
CID 103241451
3-(4-fluoro-2-methylphenoxy)-1H-pyrazin-2-one
CID 103241890
3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
CID 114570848
4-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]-2-fluoroaniline
CID 164595307
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
2-[4-(4-amino-3-fluorophenoxy)pyrimidin-2-yl]-2-oxoacetamide
CID 141110312

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one (CID 114570857) is 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one is Nc1ccc(Oc2ncc[nH]c2=O)cc1F.
What is the InChIKey of 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one?
The InChIKey is WBXSHHSTJSHPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-5-6(1-2-8(7)12)16-10-9(15)13-3-4-14-10/h1-5H,12H2,(H,13,15).
What are the key properties of 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one?
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one has a molecular weight of 221.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 114570857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).