2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide

C5H5F3N4O — CID 54067350

IUPAC2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide
SMILESNC(=O)Cn1cnnc1C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)4-11-10-2-12(4)1-3(9)13/h2H,1H2,(H2,9,13)
InChIKeyNSLYZBBOKFFMCI-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.22
Rot. Bonds2

About 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide

2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide (PubChem CID 54067350) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide
PubChem CID54067350
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide
SMILESNC(=O)Cn1cnnc1C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)4-11-10-2-12(4)1-3(9)13/h2H,1H2,(H2,9,13)
InChIKeyNSLYZBBOKFFMCI-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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Related Compounds

2-(3-cyano-1H-1,2,4-triazol-1-yl)acetamide
CID 47003260
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 67183316
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carbohydrazide
CID 140550095
1-(3,3,3-Trifluoropropyl)-1,2,4-triazole-3-carboxamide
CID 159716903
4-(2,2,3,3,3-Pentafluoropropyl)-1,2,4-triazole-3-carboxamide
CID 169094234
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(1,1-Difluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 175864486
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide (CID 54067350) is 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide is NC(=O)Cn1cnnc1C(F)(F)F.
What is the InChIKey of 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide?
The InChIKey is NSLYZBBOKFFMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)4-11-10-2-12(4)1-3(9)13/h2H,1H2,(H2,9,13).
What are the key properties of 2-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide?
2-[3-(trifluoromethyl)-1,2,4-triazol-4-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-[3-(trifluoromethyl)-1,2,4-triazol-4-yl]acetamide is sourced from PubChem (CID 54067350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).