2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

C6H7F3N4O — CID 131052710

IUPAC2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESO=C(NCCn1cncn1)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)5(14)11-1-2-13-4-10-3-12-13/h3-4H,1-2H2,(H,11,14)
InChIKeyAOTOFFIVURSWAL-UHFFFAOYSA-N
MW208.14 g/mol
LogP-0.04
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 131052710) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID131052710
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESO=C(NCCn1cncn1)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)5(14)11-1-2-13-4-10-3-12-13/h3-4H,1-2H2,(H,11,14)
InChIKeyAOTOFFIVURSWAL-UHFFFAOYSA-N
XLogP-0.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide
CID 54595598
4,4,4-trifluoro-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butanamide
CID 96559340
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 156532270
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 29867665
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 53504985
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55006974
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60718244
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61015785
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61016208
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61110235
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 61110787
2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 62562607

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (CID 131052710) is 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is O=C(NCCn1cncn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is AOTOFFIVURSWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)5(14)11-1-2-13-4-10-3-12-13/h3-4H,1-2H2,(H,11,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 208.14 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 131052710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).