1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

C5H7F3N4O2S — CID 64510939

IUPAC1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N4O2S/c1-12(2-4-9-3-10-11-4)15(13,14)5(6,7)8/h3H,2H2,1H3,(H,9,10,11)
InChIKeyIRRQNQLQFZIAMR-UHFFFAOYSA-N
MW244.20 g/mol
LogP0.09
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (PubChem CID 64510939) has the molecular formula C5H7F3N4O2S and a molecular weight of 244.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
PubChem CID64510939
Molecular FormulaC5H7F3N4O2S
Molecular Weight244.20 g/mol
Exact Mass244.02
IUPAC Name1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N4O2S/c1-12(2-4-9-3-10-11-4)15(13,14)5(6,7)8/h3H,2H2,1H3,(H,9,10,11)
InChIKeyIRRQNQLQFZIAMR-UHFFFAOYSA-N
XLogP0.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (CID 64510939) is 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The InChIKey is IRRQNQLQFZIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4O2S/c1-12(2-4-9-3-10-11-4)15(13,14)5(6,7)8/h3H,2H2,1H3,(H,9,10,11).
What are the key properties of 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide has a molecular weight of 244.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 64510939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).