7-(2-Chlorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine

HCID 3054504
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Basic information

CAS
71347-46-1
Standard SMILES
Clc1ccccc1-c1cnn2cnnc2n1
InChIKey
WTRIJWIICIWNJE-UHFFFAOYSA-N
Molecular formula
C10H6ClN5
Average molar mass
231.64 g/mol
Monoisotopic mass
231.03117287

Names & identifiers

Preferred name
7-(2-Chlorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
IUPAC
7-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

Names & synonyms

SCHEMBL11513360DTXSID30991674WTRIJWIICIWNJE-UHFFFAOYSA-N7-(2-Chlorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine7-(o-Chlorophenyl)-1,2,4-triazolo[4,3-b]-1,2,4-triazine

Database identifiers

CAS
71347-46-1
PubChem CID
3054504
DTXSID
DTXSID30991674

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
56 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Related reactions

1 records
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Compound notes

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