2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione

C11H15F3N4O2 — CID 17448544

IUPAC2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCC(C(F)(F)F)C2)c(=O)n(C)c1=O
InChIInChI=1S/C11H15F3N4O2/c1-16-9(19)8(15-17(2)10(16)20)18-5-3-4-7(6-18)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyYJJNFEOWACBURO-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.26
Rot. Bonds1

About 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione (PubChem CID 17448544) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione
PubChem CID17448544
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCC(C(F)(F)F)C2)c(=O)n(C)c1=O
InChIInChI=1S/C11H15F3N4O2/c1-16-9(19)8(15-17(2)10(16)20)18-5-3-4-7(6-18)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyYJJNFEOWACBURO-UHFFFAOYSA-N
XLogP0.26
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione (CID 17448544) is 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione is Cn1nc(N2CCCC(C(F)(F)F)C2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione?
The InChIKey is YJJNFEOWACBURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-16-9(19)8(15-17(2)10(16)20)18-5-3-4-7(6-18)11(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione has a molecular weight of 292.26 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 17448544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).