6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H15FN4O2 — CID 60658909

IUPAC6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(Nc1nn(C)c(=O)n(C)c1=O)c1cccc(F)c1
InChIInChI=1S/C13H15FN4O2/c1-8(9-5-4-6-10(14)7-9)15-11-12(19)17(2)13(20)18(3)16-11/h4-8H,1-3H3,(H,15,16)
InChIKeyPMZDLOKRDGGPBX-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.79
Rot. Bonds3

About 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60658909) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60658909
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(Nc1nn(C)c(=O)n(C)c1=O)c1cccc(F)c1
InChIInChI=1S/C13H15FN4O2/c1-8(9-5-4-6-10(14)7-9)15-11-12(19)17(2)13(20)18(3)16-11/h4-8H,1-3H3,(H,15,16)
InChIKeyPMZDLOKRDGGPBX-UHFFFAOYSA-N
XLogP0.79
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-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 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60658909) is 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(Nc1nn(C)c(=O)n(C)c1=O)c1cccc(F)c1.
What is the InChIKey of 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is PMZDLOKRDGGPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8(9-5-4-6-10(14)7-9)15-11-12(19)17(2)13(20)18(3)16-11/h4-8H,1-3H3,(H,15,16).
What are the key properties of 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 278.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-fluorophenyl)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60658909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).