Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q150359I72
EPA CompTox DTXSID0074508

Structure

InChI Key LPXQRXLUHJKZIE-UHFFFAOYSA-N
Smiles Nc1nc(=O)c2n[nH][nH]c2n1
InChI
InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4N6O1
Molecular Weight 152.04
AlogP -1.13
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Polar Surface Area 114.33
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 134-58-7
NORMAN SUSDAT
FDA SRS Q150359I72
PubChem 8646
ChemSpider 8325.0