1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide

C25H24N4O3 — CID 118705752

About 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide

1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 118705752) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 118705752
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide
• SMILES: COc1ccc(OC)c(Cn2cnc(C(=O)NCc3ccc(-c4ccccc4)cc3)n2)c1
• InChI: InChI=1S/C25H24N4O3/c1-31-22-12-13-23(32-2)21(14-22)16-29-17-27-24(28-29)25(30)26-15-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3,(H,26,30)
• InChIKey: WEFUQPZUBVYOHV-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide (CID 118705752) is 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide is COc1ccc(OC)c(Cn2cnc(C(=O)NCc3ccc(-c4ccccc4)cc3)n2)c1.

What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide?

The InChIKey is WEFUQPZUBVYOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-22-12-13-23(32-2)21(14-22)16-29-17-27-24(28-29)25(30)26-15-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3,(H,26,30).

What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide?

1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 118705752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).