N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide

C5H7F3N4O3S — CID 104818632

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C5H7F3N4O3S/c1-2-15-4-9-3(10-11-4)12-16(13,14)5(6,7)8/h2H2,1H3,(H2,9,10,11,12)
InChIKeyWKXIZBJTLOSOQB-UHFFFAOYSA-N
MW260.20 g/mol
LogP0.46
Rot. Bonds4

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 104818632) has the molecular formula C5H7F3N4O3S and a molecular weight of 260.20 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID104818632
Molecular FormulaC5H7F3N4O3S
Molecular Weight260.20 g/mol
Exact Mass260.02
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C5H7F3N4O3S/c1-2-15-4-9-3(10-11-4)12-16(13,14)5(6,7)8/h2H2,1H3,(H2,9,10,11,12)
InChIKeyWKXIZBJTLOSOQB-UHFFFAOYSA-N
XLogP0.46
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide 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

1,1,1-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 83100950
1,1-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 83102209
4,4,4-trifluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)butane-1-sulfonamide
CID 83102790
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 104818593
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-difluoromethanesulfonamide
CID 104818602
3-ethoxy-N-(2,2,2-trifluoroethylsulfamoyl)-1H-1,2,4-triazol-5-amine
CID 113637321
3-ethoxy-1H-1,2,4-triazole-5-sulfonamide
CID 104022173
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxyethanesulfonamide
CID 104818517
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 104818544
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 104818613
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 104818617
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-2-sulfonamide
CID 104818644

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide (CID 104818632) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide is CCOc1n[nH]c(NS(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is WKXIZBJTLOSOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4O3S/c1-2-15-4-9-3(10-11-4)12-16(13,14)5(6,7)8/h2H2,1H3,(H2,9,10,11,12).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 260.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 104818632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).