Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RUS62L885R
EPA CompTox DTXSID0062894

Structure

InChI Key CAEQSGPURHVZNG-UHFFFAOYSA-N
Smiles S=C1NCN=N1
InChI
InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H2,(H,3,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3N3S1
Molecular Weight 101.0
AlogP 0.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.08
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3179-31-5
NORMAN SUSDAT
FDA SRS RUS62L885R
PubChem 3034333
ChemSpider 2298813.0