[3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone

C22H20N4O4 — CID 46263880

About [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone

[3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 46263880) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

• Compound Name: [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
• PubChem CID: 46263880
• Molecular Formula: C22H20N4O4
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.15
• IUPAC Name: [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
• SMILES: COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1ccccc1OC
• InChI: InChI=1S/C22H20N4O4/c1-28-17-10-5-3-8-15(17)14-23-22-24-20(19-12-7-13-30-19)25-26(22)21(27)16-9-4-6-11-18(16)29-2/h3-13H,14H2,1-2H3,(H,23,24,25)
• InChIKey: DGDDOHAXNSQPBD-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone?

The IUPAC name of [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone (CID 46263880) is [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone.

What is the SMILES notation for [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone?

The canonical SMILES for [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1ccccc1OC.

What is the InChIKey of [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone?

The InChIKey is DGDDOHAXNSQPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-28-17-10-5-3-8-15(17)14-23-22-24-20(19-12-7-13-30-19)25-26(22)21(27)16-9-4-6-11-18(16)29-2/h3-13H,14H2,1-2H3,(H,23,24,25).

What are the key properties of [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone?

[3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 404.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(furan-2-yl)-5-[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 46263880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).