CID 571203

4-amino-3,5-di-2-pyridyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C12H10N6
SMILES
C1=CC=NC(=C1)C2=NN=C(N2N)C3=CC=CC=N3
InChI
InChI=1S/C12H10N6/c13-18-11(9-5-1-3-7-14-9)16-17-12(18)10-6-2-4-8-15-10/h1-8H,13H2
InChIKey
VHRKXLULSZZZQT-UHFFFAOYSA-N
Compound name
3,5-dipyridin-2-yl-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

75
Patents

238.0967 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10398 152.4
[M+Na]+ 261.08592 162.3
[M-H]- 237.08942 155.9
[M+NH4]+ 256.13052 164.0
[M+K]+ 277.05986 156.4
[M+H-H2O]+ 221.09396 141.0
[M+HCOO]- 283.09490 173.1
[M+CH3COO]- 297.11055 163.8
[M+Na-2H]- 259.07137 159.3
[M]+ 238.09615 150.7
[M]- 238.09725 150.7
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