2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C11H9F3N4O — CID 2340663

IUPAC2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O/c1-6-4-2-3-5-7(6)8(19)15-10-16-9(17-18-10)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyIDROUFILTPSPOY-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 2340663) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID2340663
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N4O/c1-6-4-2-3-5-7(6)8(19)15-10-16-9(17-18-10)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyIDROUFILTPSPOY-UHFFFAOYSA-N
XLogP2.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 2340663) is 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is IDROUFILTPSPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-6-4-2-3-5-7(6)8(19)15-10-16-9(17-18-10)11(12,13)14/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 270.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 2340663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).