3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one

C13H15N3O2 — CID 62929873

IUPAC3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Oc2cc(N)ccc2C)c1=O
InChIInChI=1S/C13H15N3O2/c1-3-16-7-6-15-12(13(16)17)18-11-8-10(14)5-4-9(11)2/h4-8H,3,14H2,1-2H3
InChIKeyDTQAVMHBUSAQJP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.95
Rot. Bonds3

About 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one

3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one (PubChem CID 62929873) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
PubChem CID62929873
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(Oc2cc(N)ccc2C)c1=O
InChIInChI=1S/C13H15N3O2/c1-3-16-7-6-15-12(13(16)17)18-11-8-10(14)5-4-9(11)2/h4-8H,3,14H2,1-2H3
InChIKeyDTQAVMHBUSAQJP-UHFFFAOYSA-N
XLogP1.95
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one (CID 62929873) is 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one is CCn1ccnc(Oc2cc(N)ccc2C)c1=O.
What is the InChIKey of 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one?
The InChIKey is DTQAVMHBUSAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-16-7-6-15-12(13(16)17)18-11-8-10(14)5-4-9(11)2/h4-8H,3,14H2,1-2H3.
What are the key properties of 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one?
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one is sourced from PubChem (CID 62929873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).