5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine

C11H9F3N4O — CID 71238624

IUPAC5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine
SMILESNc1nnc(OCC(F)(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)6-19-9-8(16-10(15)18-17-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,15,16,18)
InChIKeyDKCZKSKLCKKUJL-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.06
Rot. Bonds3

About 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine

5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine (PubChem CID 71238624) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine
PubChem CID71238624
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine
SMILESNc1nnc(OCC(F)(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)6-19-9-8(16-10(15)18-17-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,15,16,18)
InChIKeyDKCZKSKLCKKUJL-UHFFFAOYSA-N
XLogP2.06
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine?
The IUPAC name of 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine (CID 71238624) is 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine is Nc1nnc(OCC(F)(F)F)c(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine?
The InChIKey is DKCZKSKLCKKUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)6-19-9-8(16-10(15)18-17-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,15,16,18).
What are the key properties of 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine?
5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine has a molecular weight of 270.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine is sourced from PubChem (CID 71238624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).