CID 199772

1-amino-3,5-bis(4-pyridyl)-1h-1,2,4-triazole

Structural Information

Molecular Formula
C12H10N6
SMILES
C1=CN=CC=C1C2=NN(C(=N2)C3=CC=NC=C3)N
InChI
InChI=1S/C12H10N6/c13-18-12(10-3-7-15-8-4-10)16-11(17-18)9-1-5-14-6-2-9/h1-8H,13H2
InChIKey
GHRXNZCWLXNGNG-UHFFFAOYSA-N
Compound name
3,5-dipyridin-4-yl-1,2,4-triazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0967 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe