CID 267310

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

Structural Information

Molecular Formula
C7H9N5
SMILES
CC1=CC(=NC2=NC(=NN12)N)C
InChI
InChI=1S/C7H9N5/c1-4-3-5(2)12-7(9-4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)
InChIKey
PKNZUAYXDJNFPY-UHFFFAOYSA-N
Compound name
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

5
Patents

163.0858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.093076 133.4
[M+Na]+ 186.075018 146.4
[M-H]- 162.078524 133.7
[M+NH4]+ 181.119623 152.0
[M+K]+ 202.048958 142.9
[M+H-H2O]+ 146.083060 125.5
[M+HCOO]- 208.084001 155.9
[M+CH3COO]- 222.099651 147.4
[M+Na-2H]- 184.060466 141.3
[M]+ 163.08525142 135.2
[M]- 163.08634858 135.2
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