2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide

C10H7F3N4O — CID 154147685

IUPAC2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide
SMILESNC(=O)c1ccccc1-n1ncnc1C(F)(F)F
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)9-15-5-16-17(9)7-4-2-1-3-6(7)8(14)18/h1-5H,(H2,14,18)
InChIKeyZDKXRARTMYJPMZ-UHFFFAOYSA-N
MW256.19 g/mol
LogP1.38
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide

2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide (PubChem CID 154147685) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide
PubChem CID154147685
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC Name2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide
SMILESNC(=O)c1ccccc1-n1ncnc1C(F)(F)F
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)9-15-5-16-17(9)7-4-2-1-3-6(7)8(14)18/h1-5H,(H2,14,18)
InChIKeyZDKXRARTMYJPMZ-UHFFFAOYSA-N
XLogP1.38
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide?
The IUPAC name of 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide (CID 154147685) is 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide is NC(=O)c1ccccc1-n1ncnc1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide?
The InChIKey is ZDKXRARTMYJPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-10(12,13)9-15-5-16-17(9)7-4-2-1-3-6(7)8(14)18/h1-5H,(H2,14,18).
What are the key properties of 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide?
2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide has a molecular weight of 256.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,2,4-triazol-1-yl]benzamide is sourced from PubChem (CID 154147685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).