3-pyridin-4-yl-1H-pyridazin-6-one hydrate

Systemtic Name: 3-pyridin-4-yl-1H-pyridazin-6-one hydrate Openeye Name: 3-(4-pyridyl)-1H-pyridazin-6-one hydrate CAS Name: 3-pyridin-4-yl-1H-pyridazin-6-one hydrate IUPAC Name: 3-pyridin-4-yl-1H-pyridazin-6-one hydrate Traditional Name: 3-(4-pyridyl)-1H-pyridazin-6-one hydrate Formula: C9H9N3O2 MolecularWeight: 191.18666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)NN=C1C2=CC=NC=C2.O

Isomeric SMILES

C1=CC(=O)NN=C1C2=CC=NC=C2.O

InChI

InChI=1S/C9H7N3O.H2O/c13-9-2-1-8(11-12-9)7-3-5-10-6-4-7;/h1-6H,(H,12,13);1H2