2-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine

Systemtic Name: 2-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine Openeye Name: 2-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine CAS Name: 2-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine IUPAC Name: 2-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]-3H-1,2,4-triazole-4,5-diamine Traditional Name: [4-amino-2-[3-[3-(pyrrolidinomethyl)phenoxy]propyl]-3H-1,2,4-triazol-5-yl]amine Formula: C16H26N6O MolecularWeight: 318.41724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)OCCCN3CN(C(=N3)N)N

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)OCCCN3CN(C(=N3)N)N

InChI

InChI=1S/C16H26N6O/c17-16-19-21(13-22(16)18)9-4-10-23-15-6-3-5-14(11-15)12-20-7-1-2-8-20/h3,5-6,11H,1-2,4,7-10,12-13,18H2,(H2,17,19)