CID 28742868

3-(1-methyl-1h-pyrazol-4-yl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C6H8N6
SMILES
CN1C=C(C=N1)C2=NC(=NN2)N
InChI
InChI=1S/C6H8N6/c1-12-3-4(2-8-12)5-9-6(7)11-10-5/h2-3H,1H3,(H3,7,9,10,11)
InChIKey
YGRJLYWCICJPHT-UHFFFAOYSA-N
Compound name
5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08104 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08832 130.9
[M+Na]+ 187.07026 142.6
[M+NH4]+ 182.11486 137.0
[M+K]+ 203.04420 142.3
[M-H]- 163.07376 130.9
[M+Na-2H]- 185.05571 137.8
[M]+ 164.08049 132.2
[M]- 164.08159 132.2
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

No patent data available for this compound.