6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine

C17H13F3N4O — CID 53353513

IUPAC6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O/c1-25-13-8-11(7-12(9-13)17(18,19)20)15-14(22-16(21)24-23-15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,21,22,24)
InChIKeyPZFGWWSGDZWDOI-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.82
Rot. Bonds3

About 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine

6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53353513) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53353513
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O/c1-25-13-8-11(7-12(9-13)17(18,19)20)15-14(22-16(21)24-23-15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,21,22,24)
InChIKeyPZFGWWSGDZWDOI-UHFFFAOYSA-N
XLogP3.82
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine (CID 53353513) is 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine is COc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is PZFGWWSGDZWDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-25-13-8-11(7-12(9-13)17(18,19)20)15-14(22-16(21)24-23-15)10-5-3-2-4-6-10/h2-9H,1H3,(H2,21,22,24).
What are the key properties of 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 346.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).