Synonyms
Status
Molecule Category Free-form
UNII 8F63U28T2V
EPA CompTox DTXSID1046895

Structure

InChI Key BIXBBIPTYBJTRY-UHFFFAOYSA-N
Smiles N=C1NC(=O)N2CC12
InChI
InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5N3O
Molecular Weight 111.1
AlogP -0.63
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 55.96
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 59643-91-3
ChEMBL CHEMBL146428
DrugBank DB05003
FDA SRS 8F63U28T2V
Guide to Pharmacology 8273
PubChem 68791
SureChEMBL SCHEMBL154584