2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione

C8H11F3N4O2 — CID 55175527

IUPAC2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H11F3N4O2/c1-14-6(16)5(13-15(2)7(14)17)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyXIUXLYGWUPNTSQ-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.16
Rot. Bonds3

About 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione (PubChem CID 55175527) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione
PubChem CID55175527
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C8H11F3N4O2/c1-14-6(16)5(13-15(2)7(14)17)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyXIUXLYGWUPNTSQ-UHFFFAOYSA-N
XLogP-0.16
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione (CID 55175527) is 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione is Cn1nc(NCCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is XIUXLYGWUPNTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-14-6(16)5(13-15(2)7(14)17)12-4-3-8(9,10)11/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 252.20 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(3,3,3-trifluoropropylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55175527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).