N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide

C12H11F3N4O — CID 122441027

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C12H11F3N4O/c1-8(20)16-11-7-19(18-17-11)6-9-2-4-10(5-3-9)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,20)
InChIKeyXITPEXRFJMNDIM-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.30
Rot. Bonds3

About N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide

N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide (PubChem CID 122441027) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide
PubChem CID122441027
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C12H11F3N4O/c1-8(20)16-11-7-19(18-17-11)6-9-2-4-10(5-3-9)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,20)
InChIKeyXITPEXRFJMNDIM-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide (CID 122441027) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide is CC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide?
The InChIKey is XITPEXRFJMNDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-8(20)16-11-7-19(18-17-11)6-9-2-4-10(5-3-9)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,20).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide has a molecular weight of 284.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide is sourced from PubChem (CID 122441027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).