1-methyl-N5-[4-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]oxybutyl]-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-methyl-N5-[4-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]oxybutyl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-methyl-N5-[4-[4-(1-piperidylmethyl)pyrazol-1-yl]oxybutyl]-1,2,4-triazole-3,5-diamine CAS Name: 1-methyl-N5-[4-[[4-(1-piperidinylmethyl)-1-pyrazolyl]oxy]butyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-methyl-5-N-[4-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]oxybutyl]-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-2-methyl-1,2,4-triazol-3-yl)-[4-[4-(piperidinomethyl)pyrazol-1-yl]oxybutyl]amine Formula: C16H28N8O MolecularWeight: 348.44652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)N)NCCCCON2C=C(C=N2)CN3CCCCC3

Isomeric SMILES

CN1C(=NC(=N1)N)NCCCCON2C=C(C=N2)CN3CCCCC3

InChI

InChI=1S/C16H28N8O/c1-22-16(20-15(17)21-22)18-7-3-6-10-25-24-13-14(11-19-24)12-23-8-4-2-5-9-23/h11,13H,2-10,12H2,1H3,(H3,17,18,20,21)