2-[4-(trifluoromethyl)triazol-1-yl]acetamide

C5H5F3N4O — CID 88995626

IUPAC2-[4-(trifluoromethyl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(C(F)(F)F)nn1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)3-1-12(11-10-3)2-4(9)13/h1H,2H2,(H2,9,13)
InChIKeyYLIBYSNULUMZSW-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.22
Rot. Bonds2

About 2-[4-(trifluoromethyl)triazol-1-yl]acetamide

2-[4-(trifluoromethyl)triazol-1-yl]acetamide (PubChem CID 88995626) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)triazol-1-yl]acetamide
PubChem CID88995626
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name2-[4-(trifluoromethyl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(C(F)(F)F)nn1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)3-1-12(11-10-3)2-4(9)13/h1H,2H2,(H2,9,13)
InChIKeyYLIBYSNULUMZSW-UHFFFAOYSA-N
XLogP-0.22
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)triazol-1-yl]acetamide?
The IUPAC name of 2-[4-(trifluoromethyl)triazol-1-yl]acetamide (CID 88995626) is 2-[4-(trifluoromethyl)triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(trifluoromethyl)triazol-1-yl]acetamide is NC(=O)Cn1cc(C(F)(F)F)nn1.
What is the InChIKey of 2-[4-(trifluoromethyl)triazol-1-yl]acetamide?
The InChIKey is YLIBYSNULUMZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)3-1-12(11-10-3)2-4(9)13/h1H,2H2,(H2,9,13).
What are the key properties of 2-[4-(trifluoromethyl)triazol-1-yl]acetamide?
2-[4-(trifluoromethyl)triazol-1-yl]acetamide has a molecular weight of 194.12 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 88995626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).