2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3N5O — CID 66194680

IUPAC2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCNCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C9H14F3N5O/c1-2-13-3-7-4-17(16-15-7)5-8(18)14-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3,(H,14,18)
InChIKeyMEQDEWLMZRONCH-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.07
Rot. Bonds6

About 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66194680) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66194680
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCNCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C9H14F3N5O/c1-2-13-3-7-4-17(16-15-7)5-8(18)14-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3,(H,14,18)
InChIKeyMEQDEWLMZRONCH-UHFFFAOYSA-N
XLogP0.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 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-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 66194680) is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCNCc1cn(CC(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MEQDEWLMZRONCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-2-13-3-7-4-17(16-15-7)5-8(18)14-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3,(H,14,18).
What are the key properties of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.24 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66194680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).