Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90992364

Structure

InChI Key PHSWNMAZTISHEE-UHFFFAOYSA-N
Smiles N=1C(=NC(N)=C(C1N)C)N
InChI
InChI=1/C5H9N5/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H6,6,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N5
Molecular Weight 139.09
AlogP -0.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Polar Surface Area 105.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 71735-34-7
NORMAN SUSDAT
PubChem 3018257