1H-1,2,3,5-tetrazin-6-one hydrate

Systemtic Name: 1H-1,2,3,5-tetrazin-6-one hydrate Openeye Name: 1H-1,2,3,5-tetrazin-6-one hydrate CAS Name: 1H-1,2,3,5-tetrazin-6-one hydrate IUPAC Name: 1H-1,2,3,5-tetrazin-6-one hydrate Traditional Name: 1H-1,2,3,5-tetrazin-6-one hydrate Formula: C2H4N4O2 MolecularWeight: 116.07876

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)NN=N1.O

Isomeric SMILES

C1=NC(=O)NN=N1.O

InChI

InChI=1S/C2H2N4O.H2O/c7-2-3-1-4-6-5-2;/h1H,(H,3,4,5,7);1H2