2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C6H7F3N4O — CID 64546651

IUPAC2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1ncn[nH]1)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)5(14)10-2-1-4-11-3-12-13-4/h3H,1-2H2,(H,10,14)(H,11,12,13)
InChIKeyLADMZPSSTZFWAZ-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.03
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64546651) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64546651
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1ncn[nH]1)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)5(14)10-2-1-4-11-3-12-13-4/h3H,1-2H2,(H,10,14)(H,11,12,13)
InChIKeyLADMZPSSTZFWAZ-UHFFFAOYSA-N
XLogP0.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 3236314
2-(1H-1,2,4-triazol-3-yl)acetamide
CID 20107017
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 90793360
N-(2,2,3,3,3-pentafluoropropyl)-1H-1,2,4-triazole-5-carboxamide
CID 175726607
N-methyl-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 1263155
1-(1H-1,2,4-triazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47849840
3,3,3-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982689
2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61000107
2,2,2-trifluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63998853
3,3,3-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510849
2,2,2-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511478

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64546651) is 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(NCCc1ncn[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is LADMZPSSTZFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)5(14)10-2-1-4-11-3-12-13-4/h3H,1-2H2,(H,10,14)(H,11,12,13).
What are the key properties of 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 208.14 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64546651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).