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

C8H12F3N5O — CID 113412672

IUPAC2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCn1ccnn1)NCC(F)(F)F
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)6-13-7(17)5-12-1-3-16-4-2-14-15-16/h2,4,12H,1,3,5-6H2,(H,13,17)
InChIKeyDDDSXTOHXUMJKW-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.45
Rot. Bonds6

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

2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113412672) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113412672
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCn1ccnn1)NCC(F)(F)F
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)6-13-7(17)5-12-1-3-16-4-2-14-15-16/h2,4,12H,1,3,5-6H2,(H,13,17)
InChIKeyDDDSXTOHXUMJKW-UHFFFAOYSA-N
XLogP-0.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(triazol-1-yl)ethylamino]-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

Related Compounds

4,4,4-trifluoro-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]butanamide
CID 122560590
2-(triazol-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343511
2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide
CID 103516019
2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide
CID 103516020
2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103755769
N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide
CID 103770287
2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104096657
1-[2-(Triazol-1-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 104096770
2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)ethyl]propanamide
CID 104099732
2,2,2-trifluoro-N-[2-(triazol-1-yl)ethyl]acetamide
CID 104100661
2-[3-(triazol-1-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104439227
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(triazol-1-yl)ethyl]propanamide
CID 104445362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 113412672) is 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCn1ccnn1)NCC(F)(F)F.
What is the InChIKey of 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DDDSXTOHXUMJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c9-8(10,11)6-13-7(17)5-12-1-3-16-4-2-14-15-16/h2,4,12H,1,3,5-6H2,(H,13,17).
What are the key properties of 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.21 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113412672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).