N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C8H12F3N5O — CID 113375274

IUPACN-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCn1ccnn1
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)6-12-5-7(17)13-1-3-16-4-2-14-15-16/h2,4,12H,1,3,5-6H2,(H,13,17)
InChIKeyXNYKUTSWZFTDEJ-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.45
Rot. Bonds6

About N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113375274) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113375274
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC NameN-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCCn1ccnn1
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)6-12-5-7(17)13-1-3-16-4-2-14-15-16/h2,4,12H,1,3,5-6H2,(H,13,17)
InChIKeyXNYKUTSWZFTDEJ-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

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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 N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113375274) is N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCCn1ccnn1.
What is the InChIKey of N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is XNYKUTSWZFTDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c9-8(10,11)6-12-5-7(17)13-1-3-16-4-2-14-15-16/h2,4,12H,1,3,5-6H2,(H,13,17).
What are the key properties of N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)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 N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113375274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).