2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C6H7F3N4O2 — CID 61316452

IUPAC2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)2-15-4(14)1-13-3-11-5(10)12-13/h3H,1-2H2,(H2,10,12)
InChIKeyUVFSIMSCVILPPP-UHFFFAOYSA-N
MW224.14 g/mol
LogP-0.03
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61316452) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61316452
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Name2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)2-15-4(14)1-13-3-11-5(10)12-13/h3H,1-2H2,(H2,10,12)
InChIKeyUVFSIMSCVILPPP-UHFFFAOYSA-N
XLogP-0.03
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate 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 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61316452) is 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is UVFSIMSCVILPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2/c7-6(8,9)2-15-4(14)1-13-3-11-5(10)12-13/h3H,1-2H2,(H2,10,12).
What are the key properties of 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 224.14 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61316452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).