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

HCID 899290CAS 91895-65-7
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Basic information

Standard SMILES
Clc1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIKey
VHAHGJBWPVLYCF-UHFFFAOYSA-N
Molecular formula
C15H9ClN4
Average molar mass
280.71 g/mol
Monoisotopic mass
280.051574

Names & identifiers

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

Names & synonyms

4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline91895-65-7CHEMBL12758784-chloro-1-phenyl[1,2,4]triazolo[4,3-a]quinoxalineSCHEMBL10847181DTXSID80358470TQR0786VHAHGJBWPVLYCF-UHFFFAOYSA-NBDBM50330849AG-690/12782197

Database identifiers

CAS
91895-65-7
PubChem CID
899290
DTXSID
DTXSID80358470
ChEMBL
CHEMBL1275878

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
20

Related reactions

3 records
New reaction record

Linked notes

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