Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID70182963

Structure

InChI Key CRDUMFPZOLIQCX-UHFFFAOYSA-N
Smiles Cl.Cl.O=C(NN)NC(=N)N
InChI
InChI=1/C2H7N5O.2ClH/c3-1(4)6-2(8)7-5;;/h5H2,(H5,3,4,6,7,8);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7N5O
Molecular Weight 189.02
AlogP -0.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 5.0
Polar Surface Area 120.51
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 28787-22-6
NORMAN SUSDAT
PubChem 3015431