N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

C6H7F3N4O — CID 156532270

IUPACN-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1ncn(CC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c1-4(14)11-5-10-3-13(12-5)2-6(7,8)9/h3H,2H2,1H3,(H,11,12,14)
InChIKeyGEGGKDFLIXCCFH-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.80
Rot. Bonds2

About N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 156532270) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID156532270
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC NameN-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1ncn(CC(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c1-4(14)11-5-10-3-13(12-5)2-6(7,8)9/h3H,2H2,1H3,(H,11,12,14)
InChIKeyGEGGKDFLIXCCFH-UHFFFAOYSA-N
XLogP0.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Amino-1H-1,2,4-triazol-1-yl)ethan-1-one
CID 12510001
N-(2-acetyl-1,2,4-triazol-3-yl)acetamide
CID 286342
Acetamide, N-(1-acetyl-1H-1,2,4-triazol-3-yl)-
CID 5332222
3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide
CID 126792636
2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
CID 166528986
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
CID 167239470
2,2,2-trifluoro-N-[N-methyl-C-(1,2,4-triazol-1-yl)carbonimidoyl]acetamide
CID 178834782
ethane;2,2,2-trifluoro-N-[N-methyl-C-(1,2,4-triazol-1-yl)carbonimidoyl]acetamide
CID 178834966
1-Acetyl-5-amino-1,2,4-triazole
CID 13098079
2-cyano-N-(1h-1,2,4-triazol-3-yl) acetamide
CID 168355011
2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 12510004
N-(1-acetyl-1,2,4-triazol-3-yl)-2,2,2-trifluoroacetamide
CID 21821015

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (CID 156532270) is N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is CC(=O)Nc1ncn(CC(F)(F)F)n1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is GEGGKDFLIXCCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-4(14)11-5-10-3-13(12-5)2-6(7,8)9/h3H,2H2,1H3,(H,11,12,14).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 208.14 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 156532270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).