8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one

C₁₅H₁₄N₄O₂S — CID 155586197

About 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one

8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 155586197) has the molecular formula C₁₅H₁₄N₄O₂S and a molecular weight of 314.37 g/mol. Its IUPAC name is 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
• PubChem CID: 155586197
• Molecular Formula: C₁₅H₁₄N₄O₂S
• Molecular Weight: 314.37 g/mol
• Exact Mass: 314.08
• IUPAC Name: 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
• SMILES: CCSc1cc(Oc2ccnc3[nH]c(=O)cnc23)ccc1N
• InChI: InChI=1S/C15H14N4O2S/c1-2-22-12-7-9(3-4-10(12)16)21-11-5-6-17-15-14(11)18-8-13(20)19-15/h3-8H,2,16H2,1H3,(H,17,19,20)
• InChIKey: ISIHAJOBELMZCU-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 93.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.37
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one?

The IUPAC name of 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one (CID 155586197) is 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one.

What is the SMILES notation for 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one?

The canonical SMILES for 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one is CCSc1cc(Oc2ccnc3[nH]c(=O)cnc23)ccc1N.

What is the InChIKey of 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one?

The InChIKey is ISIHAJOBELMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-2-22-12-7-9(3-4-10(12)16)21-11-5-6-17-15-14(11)18-8-13(20)19-15/h3-8H,2,16H2,1H3,(H,17,19,20).

What are the key properties of 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one?

8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 314.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 155586197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155586197 — identifiers, structure, computed properties (public domain)

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