N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine

C145H146N24O12 — CID 160939986

About N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine

N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine (PubChem CID 160939986) has the molecular formula C145H146N24O12 and a molecular weight of 2416.92 g/mol. Its IUPAC name is N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

• Compound Name: N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine
• PubChem CID: 160939986
• Molecular Formula: C145H146N24O12
• Molecular Weight: 2416.92 g/mol
• Exact Mass: 2415.16
• IUPAC Name: N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine
• SMILES: CCCCc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cc(C)ccc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)c(C)c4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4)nnc3c2)c1
• InChI: InChI=1S/C26H28N4O2.4C24H24N4O2.C23H22N4O2/c1-5-6-7-18-8-10-21(11-9-18)27-26-28-25-17(2)12-19(15-24(25)29-30-26)20-13-22(31-3)16-23(14-20)32-4;1-14-6-7-19(9-15(14)2)25-24-26-23-16(3)8-17(12-22(23)27-28-24)18-10-20(29-4)13-21(11-18)30-5;2*1-14-6-7-21(15(2)8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-6-7-15(2)21(8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-6-5-7-18(8-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4/h8-16H,5-7H2,1-4H3,(H,27,28,30);4*6-13H,1-5H3,(H,25,26,28);5-13H,1-4H3,(H,24,25,27)
• InChIKey: SUJNPHDEZIYTIU-UHFFFAOYSA-N
• XLogP: 32.68
• TPSA: 414.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 33
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.92
LogP ≤ 5	32.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine?

The IUPAC name of N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine (CID 160939986) is N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine.

What is the SMILES notation for N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine?

The canonical SMILES for N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine is CCCCc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cc(C)ccc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)c(C)c4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4)nnc3c2)c1.

What is the InChIKey of N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine?

The InChIKey is SUJNPHDEZIYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.4C24H24N4O2.C23H22N4O2/c1-5-6-7-18-8-10-21(11-9-18)27-26-28-25-17(2)12-19(15-24(25)29-30-26)20-13-22(31-3)16-23(14-20)32-4;1-14-6-7-19(9-15(14)2)25-24-26-23-16(3)8-17(12-22(23)27-28-24)18-10-20(29-4)13-21(11-18)30-5;2*1-14-6-7-21(15(2)8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-6-7-15(2)21(8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-6-5-7-18(8-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4/h8-16H,5-7H2,1-4H3,(H,27,28,30);4*6-13H,1-5H3,(H,25,26,28);5-13H,1-4H3,(H,24,25,27).

What are the key properties of N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine?

N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 2416.92 g/mol, XLogP of 32.68, 33 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;bis(7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine);7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 160939986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).