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

HCID 6622993
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)c1nc2ccccc2n2cnnc12
InChIKey
QODXOYXKSDVVFD-UHFFFAOYSA-N
Molecular formula
C11H11N5
Average molar mass
213.24 g/mol

Names & identifiers

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

Names & synonyms

CHEMBL72861ChemDiv3_0107214-dimethylamino-[1,2,4]triazolo[4,3-a]quinoxalineSCHEMBL10845572QODXOYXKSDVVFD-UHFFFAOYSA-NHMS1503H07BDBM50015791IDI1_028279SR-01000099010SR-01000099010-1Dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine

Database identifiers

PubChem CID
6622993
ChEMBL
CHEMBL72861
Nikkaji
J338.943J

Properties

Computed structural properties

XLogP
2
Topological polar surface area
46.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
257

Related reactions

4 records
New reaction record
HRID 123603 reaction equation
HRID 123603As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 464285 reaction equation
HRID 464285As productuspto-grants-1985_10
HRID 1731934 reaction equation
HRID 1731934As productuspto-grants-1986_11
HRID 2412902 reaction equation
HRID 2412902As productuspto-grants-1985_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes