[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate

C34H34N6O9 — CID 135341188

About [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate

[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate (PubChem CID 135341188) has the molecular formula C34H34N6O9 and a molecular weight of 670.68 g/mol. Its IUPAC name is [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate.

Molecular Properties

• Compound Name: [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate
• PubChem CID: 135341188
• Molecular Formula: C34H34N6O9
• Molecular Weight: 670.68 g/mol
• Exact Mass: 670.24
• IUPAC Name: [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate
• SMILES: COc1cccc(OC)c1-n1c(COCC(=O)OCc2nnc(-c3ccc(C)o3)n2-c2c(OC)cccc2OC)nnc1-c1ccc(C)o1
• InChI: InChI=1S/C34H34N6O9/c1-20-13-15-26(48-20)33-37-35-28(39(33)31-22(42-3)9-7-10-23(31)43-4)17-46-19-30(41)47-18-29-36-38-34(27-16-14-21(2)49-27)40(29)32-24(44-5)11-8-12-25(32)45-6/h7-16H,17-19H2,1-6H3
• InChIKey: MWLAMCNHSFZELA-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 160.15 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	670.68
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate?

The IUPAC name of [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate (CID 135341188) is [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate.

What is the SMILES notation for [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate?

The canonical SMILES for [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate is COc1cccc(OC)c1-n1c(COCC(=O)OCc2nnc(-c3ccc(C)o3)n2-c2c(OC)cccc2OC)nnc1-c1ccc(C)o1.

What is the InChIKey of [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate?

The InChIKey is MWLAMCNHSFZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O9/c1-20-13-15-26(48-20)33-37-35-28(39(33)31-22(42-3)9-7-10-23(31)43-4)17-46-19-30(41)47-18-29-36-38-34(27-16-14-21(2)49-27)40(29)32-24(44-5)11-8-12-25(32)45-6/h7-16H,17-19H2,1-6H3.

What are the key properties of [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate?

[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate has a molecular weight of 670.68 g/mol, XLogP of 5.28, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl 2-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methoxy]acetate is sourced from PubChem (CID 135341188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).