5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

C25H25N5O2 — CID 154658605

About 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide

5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 154658605) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
• PubChem CID: 154658605
• Molecular Formula: C25H25N5O2
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.20
• IUPAC Name: 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide
• SMILES: Cc1ccc(CCCO)cc1-c1ccnc(NC(=O)c2n[nH]c(Cc3ccccc3)n2)c1
• InChI: InChI=1S/C25H25N5O2/c1-17-9-10-19(8-5-13-31)14-21(17)20-11-12-26-22(16-20)28-25(32)24-27-23(29-30-24)15-18-6-3-2-4-7-18/h2-4,6-7,9-12,14,16,31H,5,8,13,15H2,1H3,(H,26,28,32)(H,27,29,30)
• InChIKey: HIKIFYHLHPJRTI-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 103.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The IUPAC name of 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide (CID 154658605) is 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is Cc1ccc(CCCO)cc1-c1ccnc(NC(=O)c2n[nH]c(Cc3ccccc3)n2)c1.

What is the InChIKey of 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

The InChIKey is HIKIFYHLHPJRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-9-10-19(8-5-13-31)14-21(17)20-11-12-26-22(16-20)28-25(32)24-27-23(29-30-24)15-18-6-3-2-4-7-18/h2-4,6-7,9-12,14,16,31H,5,8,13,15H2,1H3,(H,26,28,32)(H,27,29,30).

What are the key properties of 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide?

5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-[4-[5-(3-hydroxypropyl)-2-methylphenyl]-2-pyridinyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 154658605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).