5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

C11H8F3N3O — CID 53382009

IUPAC5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine
SMILESCc1cnnc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H8F3N3O/c1-7-6-15-17-10(16-7)18-9-4-2-3-8(5-9)11(12,13)14/h2-6H,1H3
InChIKeyNKBRSESUIXJPTD-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.99
Rot. Bonds2

About 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine (PubChem CID 53382009) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine.

Molecular Properties

Compound Name5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine
PubChem CID53382009
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine
SMILESCc1cnnc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H8F3N3O/c1-7-6-15-17-10(16-7)18-9-4-2-3-8(5-9)11(12,13)14/h2-6H,1H3
InChIKeyNKBRSESUIXJPTD-UHFFFAOYSA-N
XLogP2.99
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine?
The IUPAC name of 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine (CID 53382009) is 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine.
What is the SMILES notation for 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine?
The canonical SMILES for 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine is Cc1cnnc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine?
The InChIKey is NKBRSESUIXJPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c1-7-6-15-17-10(16-7)18-9-4-2-3-8(5-9)11(12,13)14/h2-6H,1H3.
What are the key properties of 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine?
5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine has a molecular weight of 255.20 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine is sourced from PubChem (CID 53382009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).