2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide

C5H5F3N4O — CID 158918262

IUPAC2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide
SMILESNC(=O)Cc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)4-10-3(11-12-4)1-2(9)13/h1H2,(H2,9,13)(H,10,11,12)
InChIKeyJHMUKLCRFCGHAU-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.15
Rot. Bonds2

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

2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide (PubChem CID 158918262) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide
PubChem CID158918262
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide
SMILESNC(=O)Cc1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)4-10-3(11-12-4)1-2(9)13/h1H2,(H2,9,13)(H,10,11,12)
InChIKeyJHMUKLCRFCGHAU-UHFFFAOYSA-N
XLogP-0.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide (CID 158918262) is 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide is NC(=O)Cc1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide?
The InChIKey is JHMUKLCRFCGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)4-10-3(11-12-4)1-2(9)13/h1H2,(H2,9,13)(H,10,11,12).
What are the key properties of 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide?
2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide has a molecular weight of 194.12 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide is sourced from PubChem (CID 158918262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).