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

Systemtic Name: N-phenyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)butane-1,4-diamine hydrochloride Openeye Name: N-phenyl-1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]butane-1,4-diamine hydrochloride CAS Name: N-phenyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)butane-1,4-diamine hydrochloride IUPAC Name: N-phenyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)butane-1,4-diamine hydrochloride Traditional Name: [4-amino-1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]butyl]-phenyl-amine hydrochloride Formula: C17H21ClN6 MolecularWeight: 344.84184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6.ClH/c18-10-4-7-15(20-14-5-2-1-3-6-14)17-21-16(22-23-17)13-8-11-19-12-9-13;/h1-3,5-6,8-9,11-12,15,20H,4,7,10,18H2,(H,21,22,23);1H