3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine

C121H165N55 — CID 159716184

About 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine

3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 159716184) has the molecular formula C121H165N55 and a molecular weight of 2390.04 g/mol. Its IUPAC name is 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine
• PubChem CID: 159716184
• Molecular Formula: C121H165N55
• Molecular Weight: 2390.04 g/mol
• Exact Mass: 2388.46
• IUPAC Name: 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine
• SMILES: CNc1n[nH]c(NCCCc2ccccc2)n1.CNc1n[nH]c(NCCc2ccccc2)n1.CNc1n[nH]c(NCc2ccccc2)n1.CNc1n[nH]c(Nc2ccccc2)n1.CNc1nc(N(C)CCCc2ccccc2)n[nH]1.CNc1nc(N(C)CCc2ccccc2)n[nH]1.CNc1nc(N(C)Cc2ccccc2)n[nH]1.CNc1nc(N(C)c2ccccc2)n[nH]1.Cn1c(N)nnc1NCCCc1ccccc1.Cn1c(N)nnc1NCCc1ccccc1.Cn1c(N)nnc1NCc1ccccc1
• InChI: InChI=1S/C13H19N5.3C12H17N5.3C11H15N5.3C10H13N5.C9H11N5/c1-14-12-15-13(17-16-12)18(2)10-6-9-11-7-4-3-5-8-11;1-13-11-14-12(16-15-11)17(2)9-8-10-6-4-3-5-7-10;1-17-11(13)15-16-12(17)14-9-5-8-10-6-3-2-4-7-10;1-13-11-15-12(17-16-11)14-9-5-8-10-6-3-2-4-7-10;1-12-10-13-11(15-14-10)16(2)8-9-6-4-3-5-7-9;1-16-10(12)14-15-11(16)13-8-7-9-5-3-2-4-6-9;1-12-10-14-11(16-15-10)13-8-7-9-5-3-2-4-6-9;1-11-9-12-10(14-13-9)15(2)8-6-4-3-5-7-8;1-15-9(11)13-14-10(15)12-7-8-5-3-2-4-6-8;1-11-9-13-10(15-14-9)12-7-8-5-3-2-4-6-8;1-10-8-12-9(14-13-8)11-7-5-3-2-4-6-7/h3-5,7-8H,6,9-10H2,1-2H3,(H2,14,15,16,17);3-7H,8-9H2,1-2H3,(H2,13,14,15,16);2-4,6-7H,5,8-9H2,1H3,(H2,13,15)(H,14,16);2-4,6-7H,5,8-9H2,1H3,(H3,13,14,15,16,17);3-7H,8H2,1-2H3,(H2,12,13,14,15);2-6H,7-8H2,1H3,(H2,12,14)(H,13,15);2-6H,7-8H2,1H3,(H3,12,13,14,15,16);3-7H,1-2H3,(H2,11,12,13,14);2-6H,7H2,1H3,(H2,11,13)(H,12,14);2-6H,7H2,1H3,(H3,11,12,13,14,15);2-6H,1H3,(H3,10,11,12,13,14)
• InChIKey: MZLPPYGTJMMYIS-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 696.16 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 47
• Rotatable Bonds: 48
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2390.04
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine?

The IUPAC name of 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine (CID 159716184) is 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine is CNc1n[nH]c(NCCCc2ccccc2)n1.CNc1n[nH]c(NCCc2ccccc2)n1.CNc1n[nH]c(NCc2ccccc2)n1.CNc1n[nH]c(Nc2ccccc2)n1.CNc1nc(N(C)CCCc2ccccc2)n[nH]1.CNc1nc(N(C)CCc2ccccc2)n[nH]1.CNc1nc(N(C)Cc2ccccc2)n[nH]1.CNc1nc(N(C)c2ccccc2)n[nH]1.Cn1c(N)nnc1NCCCc1ccccc1.Cn1c(N)nnc1NCCc1ccccc1.Cn1c(N)nnc1NCc1ccccc1.

What is the InChIKey of 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine?

The InChIKey is MZLPPYGTJMMYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5.3C12H17N5.3C11H15N5.3C10H13N5.C9H11N5/c1-14-12-15-13(17-16-12)18(2)10-6-9-11-7-4-3-5-8-11;1-13-11-14-12(16-15-11)17(2)9-8-10-6-4-3-5-7-10;1-17-11(13)15-16-12(17)14-9-5-8-10-6-3-2-4-7-10;1-13-11-15-12(17-16-11)14-9-5-8-10-6-3-2-4-7-10;1-12-10-13-11(15-14-10)16(2)8-9-6-4-3-5-7-9;1-16-10(12)14-15-11(16)13-8-7-9-5-3-2-4-6-9;1-12-10-14-11(16-15-10)13-8-7-9-5-3-2-4-6-9;1-11-9-12-10(14-13-9)15(2)8-6-4-3-5-7-8;1-15-9(11)13-14-10(15)12-7-8-5-3-2-4-6-8;1-11-9-13-10(15-14-9)12-7-8-5-3-2-4-6-8;1-10-8-12-9(14-13-8)11-7-5-3-2-4-6-7/h3-5,7-8H,6,9-10H2,1-2H3,(H2,14,15,16,17);3-7H,8-9H2,1-2H3,(H2,13,14,15,16);2-4,6-7H,5,8-9H2,1H3,(H2,13,15)(H,14,16);2-4,6-7H,5,8-9H2,1H3,(H3,13,14,15,16,17);3-7H,8H2,1-2H3,(H2,12,13,14,15);2-6H,7-8H2,1H3,(H2,12,14)(H,13,15);2-6H,7-8H2,1H3,(H3,12,13,14,15,16);3-7H,1-2H3,(H2,11,12,13,14);2-6H,7H2,1H3,(H2,11,13)(H,12,14);2-6H,7H2,1H3,(H3,11,12,13,14,15);2-6H,1H3,(H3,10,11,12,13,14).

What are the key properties of 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine?

3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 2390.04 g/mol, XLogP of 16.48, 48 rotatable bonds, 26 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-benzyl-3-N,5-N-dimethyl-1H-1,2,4-triazole-3,5-diamine;3-N-benzyl-4-methyl-1,2,4-triazole-3,5-diamine;5-N-benzyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;3-N,5-N-dimethyl-3-N-phenyl-1H-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(2-phenylethyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(2-phenylethyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-(3-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine;4-methyl-3-N-(3-phenylpropyl)-1,2,4-triazole-3,5-diamine;3-N-methyl-5-N-phenyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 159716184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).