1-[3-[3-(butylaminomethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-[3-[3-(butylaminomethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-[3-[3-(butylaminomethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-[3-[3-(butylaminomethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-[3-[3-(butylaminomethyl)phenoxy]propyl]-1,2,4-triazole-3,5-diamine Traditional Name: butyl-[3-[3-(3,5-diamino-1,2,4-triazol-1-yl)propoxy]benzyl]amine Formula: C16H26N6O MolecularWeight: 318.41724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=CC=C1)OCCCN2C(=NC(=N2)N)N

Isomeric SMILES

CCCCNCC1=CC(=CC=C1)OCCCN2C(=NC(=N2)N)N

InChI

InChI=1S/C16H26N6O/c1-2-3-8-19-12-13-6-4-7-14(11-13)23-10-5-9-22-16(18)20-15(17)21-22/h4,6-7,11,19H,2-3,5,8-10,12H2,1H3,(H4,17,18,20,21)