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

8
Patents

204.11235 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11963 146.1
[M+Na]+ 227.10157 154.9
[M-H]- 203.10507 144.1
[M+NH4]+ 222.14617 158.5
[M+K]+ 243.07551 149.8
[M+H-H2O]+ 187.10961 135.0
[M+HCOO]- 249.11055 160.1
[M+CH3COO]- 263.12620 156.1
[M+Na-2H]- 225.08702 153.1
[M]+ 204.11180 141.8
[M]- 204.11290 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