Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UN4R4YJ3MM
EPA CompTox DTXSID3064564

Structure

InChI Key GZMPNWZNKXKPGC-UHFFFAOYSA-N
Smiles O=C1NCNCN1
InChI
InChI=1S/C3H7N3O/c7-3-5-1-4-2-6-3/h4H,1-2H2,(H2,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N3O1
Molecular Weight 101.06
AlogP -0.99
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 56.65
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 7098-14-8
NORMAN SUSDAT
FDA SRS UN4R4YJ3MM
PubChem 81542
ChemSpider 73575.0