CID 45496235

6-(1-piperazinyl)-1,2,4-triazolo[4,3-b]pyridazine

Structural Information

Molecular Formula
C9H12N6
SMILES
C1CN(CCN1)C2=NN3C=NN=C3C=C2
InChI
InChI=1S/C9H12N6/c1-2-9(14-5-3-10-4-6-14)13-15-7-11-12-8(1)15/h1-2,7,10H,3-6H2
InChIKey
RZINTGMACQMYCE-UHFFFAOYSA-N
Compound name
6-piperazin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.11235 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.119626 146.1
[M+Na]+ 227.101568 154.9
[M-H]- 203.105074 144.1
[M+NH4]+ 222.146173 158.5
[M+K]+ 243.075508 149.8
[M+H-H2O]+ 187.109610 135.0
[M+HCOO]- 249.110551 160.1
[M+CH3COO]- 263.126201 156.1
[M+Na-2H]- 225.087016 153.1
[M]+ 204.11180142 141.8
[M]- 204.11289858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe