4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione

C5H6F3N3O2 — CID 134181696

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n(CC(F)(F)F)c1=O
InChIInChI=1S/C5H6F3N3O2/c1-10-3(12)9-11(4(10)13)2-5(6,7)8/h2H2,1H3,(H,9,12)
InChIKeyBYWZPBAKHRSQKD-UHFFFAOYSA-N
MW197.12 g/mol
LogP-0.56
Rot. Bonds1

About 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione

4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione (PubChem CID 134181696) has the molecular formula C5H6F3N3O2 and a molecular weight of 197.12 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione
PubChem CID134181696
Molecular FormulaC5H6F3N3O2
Molecular Weight197.12 g/mol
Exact Mass197.04
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n(CC(F)(F)F)c1=O
InChIInChI=1S/C5H6F3N3O2/c1-10-3(12)9-11(4(10)13)2-5(6,7)8/h2H2,1H3,(H,9,12)
InChIKeyBYWZPBAKHRSQKD-UHFFFAOYSA-N
XLogP-0.56
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione (CID 134181696) is 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione is Cn1c(=O)[nH]n(CC(F)(F)F)c1=O.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione?
The InChIKey is BYWZPBAKHRSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2/c1-10-3(12)9-11(4(10)13)2-5(6,7)8/h2H2,1H3,(H,9,12).
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione?
4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione has a molecular weight of 197.12 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 134181696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).