6-azanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridazine-3-carboxamide hydrate

Systemtic Name: 6-azanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridazine-3-carboxamide hydrate Openeye Name: 6-amino-N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]pyridazine-3-carboxamide hydrate CAS Name: 6-amino-N-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-3-pyridazinecarboxamide hydrate IUPAC Name: 6-amino-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridazine-3-carboxamide hydrate Traditional Name: 6-amino-N-[2-[4-(2-pyridyl)piperazino]ethyl]pyridazine-3-carboxamide hydrate Formula: C16H23N7O2 MolecularWeight: 345.39952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=NN=C(C=C2)N)C3=CC=CC=N3.O

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=NN=C(C=C2)N)C3=CC=CC=N3.O

InChI

InChI=1S/C16H21N7O.H2O/c17-14-5-4-13(20-21-14)16(24)19-7-8-22-9-11-23(12-10-22)15-3-1-2-6-18-15;/h1-6H,7-12H2,(H2,17,21)(H,19,24);1H2