2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C6H7F3N4O — CID 60718244

IUPAC2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncn1)NCC(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)2-11-5(14)1-13-4-10-3-12-13/h3-4H,1-2H2,(H,11,14)
InChIKeyQNCCWEKZHFWUHX-UHFFFAOYSA-N
MW208.14 g/mol
LogP-0.04
Rot. Bonds3

About 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60718244) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60718244
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncn1)NCC(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)2-11-5(14)1-13-4-10-3-12-13/h3-4H,1-2H2,(H,11,14)
InChIKeyQNCCWEKZHFWUHX-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

Analyze 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60718244) is 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cncn1)NCC(F)(F)F.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QNCCWEKZHFWUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)2-11-5(14)1-13-4-10-3-12-13/h3-4H,1-2H2,(H,11,14).
What are the key properties of 2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)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-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60718244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).