3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one

C11H11N3O3 — CID 114570848

IUPAC3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
SMILESCOc1ccc(N)cc1Oc1ncc[nH]c1=O
InChIInChI=1S/C11H11N3O3/c1-16-8-3-2-7(12)6-9(8)17-11-10(15)13-4-5-14-11/h2-6H,12H2,1H3,(H,13,15)
InChIKeyVUJCMZBSZQXUNA-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.15
Rot. Bonds3

About 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one

3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one (PubChem CID 114570848) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
PubChem CID114570848
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
SMILESCOc1ccc(N)cc1Oc1ncc[nH]c1=O
InChIInChI=1S/C11H11N3O3/c1-16-8-3-2-7(12)6-9(8)17-11-10(15)13-4-5-14-11/h2-6H,12H2,1H3,(H,13,15)
InChIKeyVUJCMZBSZQXUNA-UHFFFAOYSA-N
XLogP1.15
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
CID 62928299
3-(4-amino-2,5-dimethylphenoxy)-1H-pyrazin-2-one
CID 114570862
3-(4-fluoro-2-methylphenoxy)-1H-pyrazin-2-one
CID 103241890
3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
CID 114570737
3-(2-bromo-4-fluorophenoxy)-1H-pyrazin-2-one
CID 114570730
3-(4-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
CID 62929350
3-(2-fluoro-5-methylphenoxy)-1H-pyrazin-2-one
CID 103241750
3-methyl-4-[(2-oxo-1H-pyrazin-3-yl)oxy]benzoic acid
CID 107672841
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62254600
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
CID 114570857
5-(4-amino-2-methoxyphenyl)-1H-pyridazin-6-one
CID 174508815

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one?
The IUPAC name of 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one (CID 114570848) is 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one?
The canonical SMILES for 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one is COc1ccc(N)cc1Oc1ncc[nH]c1=O.
What is the InChIKey of 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one?
The InChIKey is VUJCMZBSZQXUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-16-8-3-2-7(12)6-9(8)17-11-10(15)13-4-5-14-11/h2-6H,12H2,1H3,(H,13,15).
What are the key properties of 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one?
3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one has a molecular weight of 233.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one is sourced from PubChem (CID 114570848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).