CID 18769977

[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

Structural Information

Molecular Formula
C5H5N5
SMILES
C1=CN=CN2C1=NN=C2N
InChI
InChI=1S/C5H5N5/c6-5-9-8-4-1-2-7-3-10(4)5/h1-3H,(H2,6,9)
InChIKey
HEQAPJIMOPCOIH-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

135.05449 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.06177 122.0
[M+Na]+ 158.04371 135.5
[M+NH4]+ 153.08831 129.9
[M+K]+ 174.01765 131.9
[M-H]- 134.04721 122.6
[M+Na-2H]- 156.02916 129.6
[M]+ 135.05394 123.9
[M]- 135.05504 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe