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2,3-Diphenyl-5-(methylamino)pyrazine 1-oxide

HCID 22932010
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNc1c[n+]([O-])c(-c2ccccc2)c(-c2ccccc2)n1
InChIKey
CTTHLXBMXXUGTR-UHFFFAOYSA-N
Molecular formula
C17H15N3O
Average molar mass
277.32 g/mol

Names & identifiers

Preferred name
2,3-Diphenyl-5-(methylamino)pyrazine 1-oxide
IUPAC
N-methyl-4-oxido-5,6-diphenylpyrazin-4-ium-2-amine

Names & synonyms

SCHEMBL5219454CTTHLXBMXXUGTR-UHFFFAOYSA-N2,3-diphenyl-5-(methylamino)pyrazine 1-oxide

Database identifiers

PubChem CID
22932010

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
50.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
313

Related reactions

4 records
New reaction record
HRID 312504 reaction equation
HRID 312504As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 812187 reaction equation
HRID 812187As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1271259 reaction equation
HRID 1271259As productuspto-grants-2007_04
HRID 1271291 reaction equation
HRID 1271291As reactantuspto-grants-2007_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes