6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide

C11H11N5O2 — CID 170856005

IUPAC6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cncc(Oc2ccccc2N)n1
InChIInChI=1S/C11H11N5O2/c12-7-3-1-2-4-9(7)18-10-6-14-5-8(15-10)11(13)16-17/h1-6,17H,12H2,(H2,13,16)
InChIKeySJVPJVIEUCQSFE-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.95
Rot. Bonds3

About 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide

6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 170856005) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide
PubChem CID170856005
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cncc(Oc2ccccc2N)n1
InChIInChI=1S/C11H11N5O2/c12-7-3-1-2-4-9(7)18-10-6-14-5-8(15-10)11(13)16-17/h1-6,17H,12H2,(H2,13,16)
InChIKeySJVPJVIEUCQSFE-UHFFFAOYSA-N
XLogP0.95
TPSA119.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide (CID 170856005) is 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide is N/C(=N\O)c1cncc(Oc2ccccc2N)n1.
What is the InChIKey of 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is SJVPJVIEUCQSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-7-3-1-2-4-9(7)18-10-6-14-5-8(15-10)11(13)16-17/h1-6,17H,12H2,(H2,13,16).
What are the key properties of 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide?
6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 245.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 170856005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).