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

C11H11FN4O — CID 114786973

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline
SMILESCc1nnc(Oc2c(N)cccc2F)nc1C
InChIInChI=1S/C11H11FN4O/c1-6-7(2)15-16-11(14-6)17-10-8(12)4-3-5-9(10)13/h3-5H,13H2,1-2H3
InChIKeyPSOHZAXUEABJIY-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.00
Rot. Bonds2

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

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline (PubChem CID 114786973) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline
PubChem CID114786973
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline
SMILESCc1nnc(Oc2c(N)cccc2F)nc1C
InChIInChI=1S/C11H11FN4O/c1-6-7(2)15-16-11(14-6)17-10-8(12)4-3-5-9(10)13/h3-5H,13H2,1-2H3
InChIKeyPSOHZAXUEABJIY-UHFFFAOYSA-N
XLogP2.00
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-pyrimidin-2-yloxyaniline
CID 104832174
[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine
CID 114787502
3-fluoro-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 112740566
7-(2-amino-6-fluorophenoxy)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104832185
2-(3,5-difluorophenoxy)-3-fluoroaniline
CID 112740565
3-fluoro-2-isoquinolin-1-yloxyaniline
CID 104832181
4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578866
3-(4-iodophenoxy)-5,6-dimethyl-1,2,4-triazine
CID 114448087
3-(2-amino-6-fluorophenoxy)-1-methylpyrazin-2-one
CID 104832107
3-fluoro-2-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 104832144
2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
CID 113458300
3-fluoro-2-[(2-methylquinolin-4-yl)methoxy]aniline
CID 104831438

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline (CID 114786973) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline is Cc1nnc(Oc2c(N)cccc2F)nc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline?
The InChIKey is PSOHZAXUEABJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-6-7(2)15-16-11(14-6)17-10-8(12)4-3-5-9(10)13/h3-5H,13H2,1-2H3.
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline has a molecular weight of 234.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline is sourced from PubChem (CID 114786973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).