Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7854BCQ2PS
EPA CompTox DTXSID00197702

Structure

InChI Key QRZMXADUXZADTF-UHFFFAOYSA-N
Smiles Nc1[nH]cnc1
InChI
InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N3
Molecular Weight 83.05
AlogP -0.01
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 54.7
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 4919-03-3
NORMAN SUSDAT
FDA SRS 7854BCQ2PS