Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YQP8QA3E57

Structure

InChI Key LETVJWLLIMJADE-UHFFFAOYSA-N
Smiles NC1=NN=CC=C1
InChI
InChI=1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5N3
Molecular Weight 95.05
AlogP -0.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 52.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 5469-70-5
NORMAN SUSDAT
FDA SRS YQP8QA3E57