Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5L0H5Q9VAG
EPA CompTox DTXSID4020872

Structure

InChI Key CHJJGSNFBQVOTG-UHFFFAOYSA-N
Smiles N=C(N)NC
InChI
InChI=1/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7N3
Molecular Weight 73.06
AlogP -0.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Polar Surface Area 61.9
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 471-29-4
NORMAN SUSDAT
FDA SRS 5L0H5Q9VAG