Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M9XXT26VWH
EPA CompTox DTXSID8059394

Structure

InChI Key LKLLNYWECKEQIB-UHFFFAOYSA-N
Smiles N1CNCNC1
InChI
InChI=1/C3H9N3/c1-4-2-6-3-5-1/h4-6H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9N3
Molecular Weight 87.08
AlogP -1.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 36.09
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 110-90-7
NORMAN SUSDAT
FDA SRS M9XXT26VWH
PubChem 66971