2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide

C6H7F3N4O2 — CID 175864500

IUPAC2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1CCOC(F)(F)F
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)15-2-1-13-5(4(10)14)11-3-12-13/h3H,1-2H2,(H2,10,14)
InChIKeyZOPWILMTFNBZMA-UHFFFAOYSA-N
MW224.14 g/mol
LogP-0.09
Rot. Bonds4

About 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide

2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 175864500) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide
PubChem CID175864500
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Name2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1CCOC(F)(F)F
InChIInChI=1S/C6H7F3N4O2/c7-6(8,9)15-2-1-13-5(4(10)14)11-3-12-13/h3H,1-2H2,(H2,10,14)
InChIKeyZOPWILMTFNBZMA-UHFFFAOYSA-N
XLogP-0.09
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide (CID 175864500) is 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncnn1CCOC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is ZOPWILMTFNBZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2/c7-6(8,9)15-2-1-13-5(4(10)14)11-3-12-13/h3H,1-2H2,(H2,10,14).
What are the key properties of 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide?
2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 224.14 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175864500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).