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(Q4791)
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instance of
type of a chemical entity
0 references
SMILES (without stereochemistry)
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
0 references
chemical formula
C₁₇H₁₁N₅
1 reference
based on heuristic
inferred from SMILES
mass
285.3034
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
1 reference
based on heuristic
inferred from SMILES
InChIKey
HPJKCIUCZWXJDR-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
3902
1 reference
based on heuristic
inferred from InChIKey
AOP-Wiki Stressor ID
32
0 references
part of
AOP-Wiki Prototypical Stressors
0 references