CID 14478963

1-(4,6-dimethylpyrimidin-2-yl)-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C8H10N6
SMILES
CC1=CC(=NC(=N1)N2C=NC(=N2)N)C
InChI
InChI=1S/C8H10N6/c1-5-3-6(2)12-8(11-5)14-4-10-7(9)13-14/h3-4H,1-2H3,(H2,9,13)
InChIKey
ZWKZNIUUXGUVHJ-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

190.0967 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.103976 142.3
[M+Na]+ 213.085918 153.7
[M-H]- 189.089424 143.2
[M+NH4]+ 208.130523 156.9
[M+K]+ 229.059858 149.8
[M+H-H2O]+ 173.093960 132.6
[M+HCOO]- 235.094901 163.1
[M+CH3COO]- 249.110551 154.8
[M+Na-2H]- 211.071366 147.9
[M]+ 190.09615142 142.2
[M]- 190.09724858 142.2
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