Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G38YA4XN2P
EPA CompTox DTXSID40901683

Structure

InChI Key TXTRWVWGYHUIAI-UHFFFAOYSA-N
Smiles [O-][N+]1=CN=C2NC=NC2=C1N
InChI
InChI=1/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2H,6H2,(H,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N5O
Molecular Weight 151.05
AlogP -0.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 94.53
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 700-02-7
NORMAN SUSDAT
FDA SRS G38YA4XN2P
PubChem 5232037