5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile

C11H8N4O2 — CID 137013341

IUPAC5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Oc2cccc(O)c2N)cn1
InChIInChI=1S/C11H8N4O2/c12-4-7-5-15-10(6-14-7)17-9-3-1-2-8(16)11(9)13/h1-3,5-6,16H,13H2
InChIKeyMLQCVHUNFXUILY-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.43
Rot. Bonds2

About 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile

5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile (PubChem CID 137013341) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile
PubChem CID137013341
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Oc2cccc(O)c2N)cn1
InChIInChI=1S/C11H8N4O2/c12-4-7-5-15-10(6-14-7)17-9-3-1-2-8(16)11(9)13/h1-3,5-6,16H,13H2
InChIKeyMLQCVHUNFXUILY-UHFFFAOYSA-N
XLogP1.43
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile (CID 137013341) is 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile is N#Cc1cnc(Oc2cccc(O)c2N)cn1.
What is the InChIKey of 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile?
The InChIKey is MLQCVHUNFXUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-4-7-5-15-10(6-14-7)17-9-3-1-2-8(16)11(9)13/h1-3,5-6,16H,13H2.
What are the key properties of 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile?
5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile has a molecular weight of 228.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 137013341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).