CAS Registry Number: 5098-11-3
Name:

5-Amino-1H-imidazole-4-carbonitrile

4-Amino-1H-imidazole-5-carbonitrile

Chemical Formula: C4H4N4
Exact Mass: 108.04
Molecular Weight: 108.10
m/z: 108.04 (100.0%), 109.05 (4.4%), 109.04 (1.5%)

InChI
InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)
InChI Key
XEPBRDBFOSKYCF-UHFFFAOYSA-N
Canonical SMILES
C1=NC(=C(N1)C#N)N

Specification

98%

Synlett (2017), 28(1), 64-67

Journal of Physical Chemistry B (2013), 117(45), 14039-14045