4,5-DIAMINO-2,4-DIHYDRO-3-OXOPYRAZOLE SULPHATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20954930

Structure

InChI Key WPNDHEHMBKGTIE-UHFFFAOYSA-N
Smiles O=C1NN=C(N)C1N.O=S(=O)(O)O
InChI
InChI=1/C3H6N4O.H2O4S/c4-1-2(5)6-7-3(1)8;1-5(2,3)4/h1H,4H2,(H2,5,6)(H,7,8);(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6N4O
Molecular Weight 212.02
AlogP -1.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 6.0
Polar Surface Area 169.09
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 33295-85-1
NORMAN SUSDAT
PubChem 3015656
CONTENTS