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

C12H13FN4O — CID 114787502

IUPAC[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine
SMILESCc1nnc(Oc2cccc(F)c2CN)nc1C
InChIInChI=1S/C12H13FN4O/c1-7-8(2)16-17-12(15-7)18-11-5-3-4-10(13)9(11)6-14/h3-5H,6,14H2,1-2H3
InChIKeyGEOKPWWTROVDFB-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.88
Rot. Bonds3

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

[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine (PubChem CID 114787502) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine
PubChem CID114787502
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine
SMILESCc1nnc(Oc2cccc(F)c2CN)nc1C
InChIInChI=1S/C12H13FN4O/c1-7-8(2)16-17-12(15-7)18-11-5-3-4-10(13)9(11)6-14/h3-5H,6,14H2,1-2H3
InChIKeyGEOKPWWTROVDFB-UHFFFAOYSA-N
XLogP1.88
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine with MolForge

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Related Compounds

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-3-fluoroaniline
CID 114786973
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
[2-[(3-bromo-4-methyl-2-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 106878446
[6-(2,3-difluorophenoxy)-2,4-dimethyl-3-pyridinyl]methanamine
CID 161169292
2-[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]phenyl]ethanol
CID 107713663
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645

Frequently Asked Questions

What is the IUPAC name of [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine?
The IUPAC name of [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine (CID 114787502) is [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine?
The canonical SMILES for [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine is Cc1nnc(Oc2cccc(F)c2CN)nc1C.
What is the InChIKey of [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine?
The InChIKey is GEOKPWWTROVDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7-8(2)16-17-12(15-7)18-11-5-3-4-10(13)9(11)6-14/h3-5H,6,14H2,1-2H3.
What are the key properties of [2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine?
[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine has a molecular weight of 248.26 g/mol, XLogP of 1.88, 3 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]-6-fluorophenyl]methanamine is sourced from PubChem (CID 114787502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).