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

C15H14N4O2S — CID 155586197

IUPAC8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCCSc1cc(Oc2ccnc3[nH]c(=O)cnc23)ccc1N
InChIInChI=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)
InChIKeyISIHAJOBELMZCU-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.80
Rot. Bonds4

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 Name8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID155586197
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCCSc1cc(Oc2ccnc3[nH]c(=O)cnc23)ccc1N
InChIInChI=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)
InChIKeyISIHAJOBELMZCU-UHFFFAOYSA-N
XLogP2.80
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

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).