N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide

C6H7F3N4O — CID 78970666

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cn[nH]n1
InChIInChI=1S/C6H7F3N4O/c1-13(3-6(7,8)9)5(14)4-2-10-12-11-4/h2H,3H2,1H3,(H,10,11,12)
InChIKeyNNWSIKBJDABUDR-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.44
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide

N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide (PubChem CID 78970666) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
PubChem CID78970666
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cn[nH]n1
InChIInChI=1S/C6H7F3N4O/c1-13(3-6(7,8)9)5(14)4-2-10-12-11-4/h2H,3H2,1H3,(H,10,11,12)
InChIKeyNNWSIKBJDABUDR-UHFFFAOYSA-N
XLogP0.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide (CID 78970666) is N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide is CN(CC(F)(F)F)C(=O)c1cn[nH]n1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The InChIKey is NNWSIKBJDABUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13(3-6(7,8)9)5(14)4-2-10-12-11-4/h2H,3H2,1H3,(H,10,11,12).
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78970666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).