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

C7H7F3N4O2 — CID 66215009

IUPAC2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=Cc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)4-11-6(16)2-14-1-5(3-15)12-13-14/h1,3H,2,4H2,(H,11,16)
InChIKeyBAFLIADTQFYDIX-UHFFFAOYSA-N
MW236.15 g/mol
LogP-0.23
Rot. Bonds4

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

2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66215009) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66215009
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Name2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=Cc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)4-11-6(16)2-14-1-5(3-15)12-13-14/h1,3H,2,4H2,(H,11,16)
InChIKeyBAFLIADTQFYDIX-UHFFFAOYSA-N
XLogP-0.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
2-(4-formylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106716481
2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 163355208
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191701
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-formyltriazol-1-yl)acetamide
CID 66215194
2-(4-formyltriazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66214600
N-cycloheptyl-2-(4-formyltriazol-1-yl)acetamide
CID 66215796
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
2-(4-formyltriazol-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 66213760
2-(4-formyltriazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 66213794
1-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]triazole-4-carbaldehyde
CID 66216578
N-(3-bromophenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216003

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 66215009) is 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=Cc1cn(CC(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BAFLIADTQFYDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c8-7(9,10)4-11-6(16)2-14-1-5(3-15)12-13-14/h1,3H,2,4H2,(H,11,16).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 236.15 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66215009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).