CID 199040

3652-17-3

Structural Information

Molecular Formula

C₇H₇N₅

SMILES

C1=CN=CC=C1C2=NC(=NN2)N

InChI

InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4H,(H3,8,10,11,12)

InChIKey

PHYOJNNPPUPKEA-UHFFFAOYSA-N

Compound name

5-pyridin-4-yl-1H-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 100
Patents: 161.07014 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.07742	131.4
[M+Na]+	184.05936	144.0
[M+NH4]+	179.10396	138.4
[M+K]+	200.03330	140.5
[M-H]-	160.06286	132.8
[M+Na-2H]-	182.04481	139.6
[M]+	161.06959	133.3
[M]-	161.07069	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe