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4-Ethylamino-[1,2,4]triazolo[4,3-a]quinoxaline

HCID 13385709
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCNc1nc2ccccc2n2cnnc12
InChIKey
WSZKZAMHPZUCTA-UHFFFAOYSA-N
Molecular formula
C11H11N5
Average molar mass
213.24 g/mol

Names & identifiers

Preferred name
4-Ethylamino-[1,2,4]triazolo[4,3-a]quinoxaline
IUPAC
N-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

Names & synonyms

CHEMBL731324-ethylamino-[1,2,4]triazolo[4,3-a]quinoxalineSCHEMBL10845825WSZKZAMHPZUCTA-UHFFFAOYSA-NBDBM50015761Ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine

Database identifiers

PubChem CID
13385709
ChEMBL
CHEMBL73132
Nikkaji
J336.768A

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
55.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
247

Related reactions

4 records
New reaction record
HRID 464286 reaction equation
HRID 464286As productuspto-grants-1985_10
HRID 1540836 reaction equation
HRID 1540836As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1731935 reaction equation
HRID 1731935As productuspto-grants-1986_11
HRID 2412903 reaction equation
HRID 2412903As productuspto-grants-1985_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes