4-Chloro-1-butyl[1,2,4]triazolo[4,3-a]quinoxaline

HCID 14280608
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Basic information

Standard SMILES
CCCCc1nnc2c(Cl)nc3ccccc3n12
InChIKey
WFHUVTYOQNLUKS-UHFFFAOYSA-N
Molecular formula
C13H13ClN4
Average molar mass
260.72 g/mol

Names & identifiers

Preferred name
4-Chloro-1-butyl[1,2,4]triazolo[4,3-a]quinoxaline
IUPAC
1-butyl-4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline

Names & synonyms

SCHEMBL7347836TQR0791WFHUVTYOQNLUKS-UHFFFAOYSA-N4-chloro-1-butyl[1,2,4]triazolo[4,3-a]quinoxaline1-butyl-4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline

Database identifiers

PubChem CID
14280608

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

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