bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

C67H70N16O8 — CID 161380539

About bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 161380539) has the molecular formula C67H70N16O8 and a molecular weight of 1227.40 g/mol. Its IUPAC name is bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 161380539
• Molecular Formula: C67H70N16O8
• Molecular Weight: 1227.40 g/mol
• Exact Mass: 1226.56
• IUPAC Name: bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
• SMILES: COc1cccc(OC)c1-n1c(C)nnc1-c1cccc(C)n1.COc1cccc(OC)c1-n1c(C)nnc1-c1cccc(C)n1.COc1cccc(OC)c1-n1c(C)nnc1-c1cccnc1.COc1cccc(OC)c1-n1c(C)nnc1-c1cncc(C)c1
• InChI: InChI=1S/3C17H18N4O2.C16H16N4O2/c2*1-11-7-5-8-13(18-11)17-20-19-12(2)21(17)16-14(22-3)9-6-10-15(16)23-4;1-11-8-13(10-18-9-11)17-20-19-12(2)21(17)16-14(22-3)6-5-7-15(16)23-4;1-11-18-19-16(12-6-5-9-17-10-12)20(11)15-13(21-2)7-4-8-14(15)22-3/h3*5-10H,1-4H3;4-10H,1-3H3
• InChIKey: VRQWBUDPOIXZPZ-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 248.24 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1227.40
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (CID 161380539) is bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is COc1cccc(OC)c1-n1c(C)nnc1-c1cccc(C)n1.COc1cccc(OC)c1-n1c(C)nnc1-c1cccc(C)n1.COc1cccc(OC)c1-n1c(C)nnc1-c1cccnc1.COc1cccc(OC)c1-n1c(C)nnc1-c1cncc(C)c1.

What is the InChIKey of bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?

The InChIKey is VRQWBUDPOIXZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H18N4O2.C16H16N4O2/c2*1-11-7-5-8-13(18-11)17-20-19-12(2)21(17)16-14(22-3)9-6-10-15(16)23-4;1-11-8-13(10-18-9-11)17-20-19-12(2)21(17)16-14(22-3)6-5-7-15(16)23-4;1-11-18-19-16(12-6-5-9-17-10-12)20(11)15-13(21-2)7-4-8-14(15)22-3/h3*5-10H,1-4H3;4-10H,1-3H3.

What are the key properties of bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?

bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 1227.40 g/mol, XLogP of 11.54, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-6-methylpyridine);3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-methylpyridine;3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 161380539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).