1-isoquinolin-1-yl-N3-pyridin-3-yl-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-isoquinolin-1-yl-N3-pyridin-3-yl-1,2,4-triazole-3,5-diamine Openeye Name: 1-(1-isoquinolyl)-N3-(3-pyridyl)-1,2,4-triazole-3,5-diamine CAS Name: 1-(1-isoquinolinyl)-N3-(3-pyridinyl)-1,2,4-triazole-3,5-diamine IUPAC Name: 1-isoquinolin-1-yl-3-N-pyridin-3-yl-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(1-isoquinolyl)-1,2,4-triazol-3-yl]-(3-pyridyl)amine Formula: C16H13N7 MolecularWeight: 303.32132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2N3C(=NC(=N3)NC4=CN=CC=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2N3C(=NC(=N3)NC4=CN=CC=C4)N

InChI

InChI=1S/C16H13N7/c17-15-21-16(20-12-5-3-8-18-10-12)22-23(15)14-13-6-2-1-4-11(13)7-9-19-14/h1-10H,(H3,17,20,21,22)