4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine

C20H17F3N4O — CID 6404702

IUPAC4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2nnc(-c3ccccc3)c(N3CCOCC3)n2)c1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)16-8-4-7-15(13-16)18-24-19(27-9-11-28-12-10-27)17(25-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyLIQNRJSXVNLBLB-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.06
Rot. Bonds3

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

4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine (PubChem CID 6404702) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine.

Molecular Properties

Compound Name4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine
PubChem CID6404702
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2nnc(-c3ccccc3)c(N3CCOCC3)n2)c1
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)16-8-4-7-15(13-16)18-24-19(27-9-11-28-12-10-27)17(25-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKeyLIQNRJSXVNLBLB-UHFFFAOYSA-N
XLogP4.06
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine?
The IUPAC name of 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine (CID 6404702) is 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine.
What is the SMILES notation for 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine?
The canonical SMILES for 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine is FC(F)(F)c1cccc(-c2nnc(-c3ccccc3)c(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine?
The InChIKey is LIQNRJSXVNLBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)16-8-4-7-15(13-16)18-24-19(27-9-11-28-12-10-27)17(25-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2.
What are the key properties of 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine?
4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine has a molecular weight of 386.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine is sourced from PubChem (CID 6404702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).