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]+ 179.10398 136.1
[M+Na]+ 201.08592 148.6
[M-H]- 177.08942 137.9
[M+NH4]+ 196.13052 153.1
[M+K]+ 217.05986 145.6
[M+H-H2O]+ 161.09396 126.9
[M+HCOO]- 223.09490 159.5
[M+CH3COO]- 237.11055 149.8
[M+Na-2H]- 199.07137 140.5
[M]+ 178.09615 137.9
[M]- 178.09725 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.