CID 3037958

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

Structural Information

Molecular Formula
C7H7N5S
SMILES
C1=CN=CC=C1C2=NC(=S)NN2N
InChI
InChI=1S/C7H7N5S/c8-12-6(10-7(13)11-12)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13)
InChIKey
CLLIRGCEQYSYFS-UHFFFAOYSA-N
Compound name
2-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04222 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.049496 138.2
[M+Na]+ 216.031438 149.8
[M-H]- 192.034944 139.3
[M+NH4]+ 211.076043 153.9
[M+K]+ 232.005378 144.0
[M+H-H2O]+ 176.039480 130.3
[M+HCOO]- 238.040421 154.6
[M+CH3COO]- 252.056071 150.6
[M+Na-2H]- 214.016886 141.4
[M]+ 193.04167142 136.6
[M]- 193.04276858 136.6
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.