2-(2,2,2-trifluoroethyl)triazole-4-carboxamide

C5H5F3N4O — CID 175864477

IUPAC2-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESNC(=O)c1cnn(CC(F)(F)F)n1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)2-12-10-1-3(11-12)4(9)13/h1H,2H2,(H2,9,13)
InChIKeyMOXUVLBEQWKMML-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.06
Rot. Bonds2

About 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide

2-(2,2,2-trifluoroethyl)triazole-4-carboxamide (PubChem CID 175864477) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)triazole-4-carboxamide
PubChem CID175864477
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name2-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESNC(=O)c1cnn(CC(F)(F)F)n1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)2-12-10-1-3(11-12)4(9)13/h1H,2H2,(H2,9,13)
InChIKeyMOXUVLBEQWKMML-UHFFFAOYSA-N
XLogP-0.06
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide (CID 175864477) is 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide is NC(=O)c1cnn(CC(F)(F)F)n1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The InChIKey is MOXUVLBEQWKMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)2-12-10-1-3(11-12)4(9)13/h1H,2H2,(H2,9,13).
What are the key properties of 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
2-(2,2,2-trifluoroethyl)triazole-4-carboxamide has a molecular weight of 194.12 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)triazole-4-carboxamide is sourced from PubChem (CID 175864477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).