4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline

C13H15FN4O — CID 105362901

IUPAC4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline
SMILESCCc1nnc(Oc2ccc(N)c(F)c2)nc1CC
InChIInChI=1S/C13H15FN4O/c1-3-11-12(4-2)17-18-13(16-11)19-8-5-6-10(15)9(14)7-8/h5-7H,3-4,15H2,1-2H3
InChIKeySSJFLYBBQIMFHW-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.51
Rot. Bonds4

About 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline

4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline (PubChem CID 105362901) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline
PubChem CID105362901
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline
SMILESCCc1nnc(Oc2ccc(N)c(F)c2)nc1CC
InChIInChI=1S/C13H15FN4O/c1-3-11-12(4-2)17-18-13(16-11)19-8-5-6-10(15)9(14)7-8/h5-7H,3-4,15H2,1-2H3
InChIKeySSJFLYBBQIMFHW-UHFFFAOYSA-N
XLogP2.51
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

5,6-diethyl-3-(3-iodophenoxy)-1,2,4-triazine
CID 105362314
2-[4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]ethanol
CID 106544706
4-[(6-ethoxy-2-pyridinyl)oxy]-2-fluoroaniline
CID 63590604
ethyl 2-(4-amino-3-fluorophenoxy)-4-methylpyrimidine-5-carboxylate
CID 83180062
3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline
CID 105362894
3-chloro-4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]aniline
CID 105362891
2-fluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273845
2-fluoro-4-methoxyaniline
CID 3756383
[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine
CID 105363242
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-fluorobenzoic acid
CID 105363223
2-fluoro-4-[[4-(2-methoxypyrimidin-5-yl)-1,3-thiazol-2-yl]oxy]aniline
CID 157047054
4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline
CID 103204561

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline?
The IUPAC name of 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline (CID 105362901) is 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline.
What is the SMILES notation for 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline?
The canonical SMILES for 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline is CCc1nnc(Oc2ccc(N)c(F)c2)nc1CC.
What is the InChIKey of 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline?
The InChIKey is SSJFLYBBQIMFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-3-11-12(4-2)17-18-13(16-11)19-8-5-6-10(15)9(14)7-8/h5-7H,3-4,15H2,1-2H3.
What are the key properties of 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline?
4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline has a molecular weight of 262.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-fluoroaniline is sourced from PubChem (CID 105362901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).