Structure

InChI Key SWELIMKTDYHAOY-UHFFFAOYSA-N
Smiles Oc1cc(N)[nH]c(=N)n1
InChI
InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N4O1
Molecular Weight 126.05
AlogP -0.82
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Polar Surface Area 98.78
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 56-06-4
NORMAN SUSDAT
FDA SRS EDH7CNS75I
PubChem 2944
ChemSpider 2840.0