CID 601073

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

Structural Information

Molecular Formula
C7H10N6
SMILES
CC1=CC(=NN1C2=NN=CN2N)C
InChI
InChI=1S/C7H10N6/c1-5-3-6(2)13(11-5)7-10-9-4-12(7)8/h3-4H,8H2,1-2H3
InChIKey
ZEYWMRPXQKIMIK-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

178.0967 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.103976 136.1
[M+Na]+ 201.085918 148.6
[M-H]- 177.089424 137.9
[M+NH4]+ 196.130523 153.1
[M+K]+ 217.059858 145.6
[M+H-H2O]+ 161.093960 126.9
[M+HCOO]- 223.094901 159.5
[M+CH3COO]- 237.110551 149.8
[M+Na-2H]- 199.071366 140.5
[M]+ 178.09615142 137.9
[M]- 178.09724858 137.9
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

No patent data available for this compound.