Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DR88TV7SNU
EPA CompTox DTXSID80199406

Structure

InChI Key FSASIHFSFGAIJM-UHFFFAOYSA-N
Smiles Cn1cnc(N)c2ncnc12
InChI
InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7N5
Molecular Weight 149.07
AlogP -0.1
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Polar Surface Area 69.62
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 5142-23-4
NORMAN SUSDAT
FDA SRS DR88TV7SNU
PubChem 1673
ChemSpider 1610.0