5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C15H11F3N4O2 — CID 25163058

IUPAC5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)o1
InChIInChI=1S/C15H11F3N4O2/c1-9-2-5-13(24-9)14(23)21-11-6-10(15(16,17)18)3-4-12(11)22-8-19-7-20-22/h2-8H,1H3,(H,21,23)
InChIKeyWAKFOKDAZNCGNL-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.44
Rot. Bonds3

About 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide

5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 25163058) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID25163058
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)o1
InChIInChI=1S/C15H11F3N4O2/c1-9-2-5-13(24-9)14(23)21-11-6-10(15(16,17)18)3-4-12(11)22-8-19-7-20-22/h2-8H,1H3,(H,21,23)
InChIKeyWAKFOKDAZNCGNL-UHFFFAOYSA-N
XLogP3.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 25163058) is 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)o1.
What is the InChIKey of 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is WAKFOKDAZNCGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-9-2-5-13(24-9)14(23)21-11-6-10(15(16,17)18)3-4-12(11)22-8-19-7-20-22/h2-8H,1H3,(H,21,23).
What are the key properties of 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 336.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 25163058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).