N-phenyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)propane-1,3-diamine hydrochloride

Systemtic Name: N-phenyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)propane-1,3-diamine hydrochloride Openeye Name: N-phenyl-1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]propane-1,3-diamine hydrochloride CAS Name: N-phenyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)propane-1,3-diamine hydrochloride IUPAC Name: N-phenyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)propane-1,3-diamine hydrochloride Traditional Name: [3-amino-1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]propyl]-phenyl-amine hydrochloride Formula: C16H19ClN6 MolecularWeight: 330.81526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CCN)C2=NC(=NN2)C3=CC=NC=C3.Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(CCN)C2=NC(=NN2)C3=CC=NC=C3.Cl

InChI

InChI=1S/C16H18N6.ClH/c17-9-6-14(19-13-4-2-1-3-5-13)16-20-15(21-22-16)12-7-10-18-11-8-12;/h1-5,7-8,10-11,14,19H,6,9,17H2,(H,20,21,22);1H