1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

C18H15F3N4O2 — CID 6493772

IUPAC1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)cc1
InChIInChI=1S/C18H15F3N4O2/c1-11-16(23-24-25(11)12-7-9-13(27-2)10-8-12)17(26)22-15-6-4-3-5-14(15)18(19,20)21/h3-10H,1-2H3,(H,22,26)
InChIKeyXVQJIQWVSGVHON-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.86
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide

1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 6493772) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID6493772
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)cc1
InChIInChI=1S/C18H15F3N4O2/c1-11-16(23-24-25(11)12-7-9-13(27-2)10-8-12)17(26)22-15-6-4-3-5-14(15)18(19,20)21/h3-10H,1-2H3,(H,22,26)
InChIKeyXVQJIQWVSGVHON-UHFFFAOYSA-N
XLogP3.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 6493772) is 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is XVQJIQWVSGVHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-11-16(23-24-25(11)12-7-9-13(27-2)10-8-12)17(26)22-15-6-4-3-5-14(15)18(19,20)21/h3-10H,1-2H3,(H,22,26).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide?
1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 6493772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).