4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine

C5H5F3N4O2 — CID 15010393

IUPAC4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OC(F)(F)F)n1
InChIInChI=1S/C5H5F3N4O2/c1-13-3-10-2(9)11-4(12-3)14-5(6,7)8/h1H3,(H2,9,10,11,12)
InChIKeyZHWUZSLHVWIGAI-UHFFFAOYSA-N
MW210.11 g/mol
LogP0.36
Rot. Bonds2

About 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine

4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 15010393) has the molecular formula C5H5F3N4O2 and a molecular weight of 210.11 g/mol. Its IUPAC name is 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID15010393
Molecular FormulaC5H5F3N4O2
Molecular Weight210.11 g/mol
Exact Mass210.04
IUPAC Name4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OC(F)(F)F)n1
InChIInChI=1S/C5H5F3N4O2/c1-13-3-10-2(9)11-4(12-3)14-5(6,7)8/h1H3,(H2,9,10,11,12)
InChIKeyZHWUZSLHVWIGAI-UHFFFAOYSA-N
XLogP0.36
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (CID 15010393) is 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is COc1nc(N)nc(OC(F)(F)F)n1.
What is the InChIKey of 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is ZHWUZSLHVWIGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O2/c1-13-3-10-2(9)11-4(12-3)14-5(6,7)8/h1H3,(H2,9,10,11,12).
What are the key properties of 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 210.11 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15010393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).