5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide

C19H15F3N8O2 — CID 166377448

About 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide

5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 166377448) has the molecular formula C19H15F3N8O2 and a molecular weight of 444.38 g/mol. Its IUPAC name is 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 166377448
• Molecular Formula: C19H15F3N8O2
• Molecular Weight: 444.38 g/mol
• Exact Mass: 444.13
• IUPAC Name: 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
• SMILES: Cc1ccc(Oc2ccc(NC(=O)c3nc(C)n(-c4n[nH]c(C(F)(F)F)n4)n3)cc2)cn1
• InChI: InChI=1S/C19H15F3N8O2/c1-10-3-6-14(9-23-10)32-13-7-4-12(5-8-13)25-16(31)15-24-11(2)30(29-15)18-26-17(27-28-18)19(20,21)22/h3-9H,1-2H3,(H,25,31)(H,26,27,28)
• InChIKey: GVADLWDSAWXHNM-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 123.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.38
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide (CID 166377448) is 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3nc(C)n(-c4n[nH]c(C(F)(F)F)n4)n3)cc2)cn1.

What is the InChIKey of 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?

The InChIKey is GVADLWDSAWXHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N8O2/c1-10-3-6-14(9-23-10)32-13-7-4-12(5-8-13)25-16(31)15-24-11(2)30(29-15)18-26-17(27-28-18)19(20,21)22/h3-9H,1-2H3,(H,25,31)(H,26,27,28).

What are the key properties of 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?

5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 444.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166377448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).