4-(2-azanylethyl)-5-pyridin-3-yl-1,2-dihydropyrazol-3-one; ethanedioic acid

Systemtic Name: 4-(2-azanylethyl)-5-pyridin-3-yl-1,2-dihydropyrazol-3-one; ethanedioic acid Openeye Name: 4-(2-aminoethyl)-5-(3-pyridyl)-1,2-dihydropyrazol-3-one; oxalic acid CAS Name: 4-(2-aminoethyl)-5-(3-pyridinyl)-1,2-dihydropyrazol-3-one; oxalic acid IUPAC Name: 4-(2-aminoethyl)-5-pyridin-3-yl-1,2-dihydropyrazol-3-one; oxalic acid Traditional Name: 4-(2-aminoethyl)-5-(3-pyridyl)-3-pyrazolin-3-one; oxalic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C(C(=O)NN2)CCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=C(C(=O)NN2)CCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H12N4O.C2H2O4/c11-4-3-8-9(13-14-10(8)15)7-2-1-5-12-6-7;3-1(4)2(5)6/h1-2,5-6H,3-4,11H2,(H2,13,14,15);(H,3,4)(H,5,6)