5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole

C7H12F3N5O2S — CID 114810132

IUPAC5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole
SMILESCc1nc(CN(C)S(=O)(=O)NCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H12F3N5O2S/c1-5-12-6(14-13-5)3-15(2)18(16,17)11-4-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyBFMTZWUVFRRKDY-UHFFFAOYSA-N
MW287.27 g/mol
LogP-0.06
Rot. Bonds5

About 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole

5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole (PubChem CID 114810132) has the molecular formula C7H12F3N5O2S and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole
PubChem CID114810132
Molecular FormulaC7H12F3N5O2S
Molecular Weight287.27 g/mol
Exact Mass287.07
IUPAC Name5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole
SMILESCc1nc(CN(C)S(=O)(=O)NCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H12F3N5O2S/c1-5-12-6(14-13-5)3-15(2)18(16,17)11-4-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyBFMTZWUVFRRKDY-UHFFFAOYSA-N
XLogP-0.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole (CID 114810132) is 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole is Cc1nc(CN(C)S(=O)(=O)NCC(F)(F)F)n[nH]1.
What is the InChIKey of 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole?
The InChIKey is BFMTZWUVFRRKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5O2S/c1-5-12-6(14-13-5)3-15(2)18(16,17)11-4-7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole?
5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole has a molecular weight of 287.27 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 114810132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).