5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine

C22H15F3N4O — CID 22118852

IUPAC5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
SMILESFC(F)(F)c1ccc(-c2nnc(-c3ccccn3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)17-11-9-16(10-12-17)19-21(30-14-15-6-2-1-3-7-15)27-20(29-28-19)18-8-4-5-13-26-18/h1-13H,14H2
InChIKeyKSUBKCCWLJFYAN-UHFFFAOYSA-N
MW408.38 g/mol
LogP5.20
Rot. Bonds5

About 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine

5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine (PubChem CID 22118852) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine.

Molecular Properties

Compound Name5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
PubChem CID22118852
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC Name5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
SMILESFC(F)(F)c1ccc(-c2nnc(-c3ccccn3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)17-11-9-16(10-12-17)19-21(30-14-15-6-2-1-3-7-15)27-20(29-28-19)18-8-4-5-13-26-18/h1-13H,14H2
InChIKeyKSUBKCCWLJFYAN-UHFFFAOYSA-N
XLogP5.20
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine?
The IUPAC name of 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine (CID 22118852) is 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine.
What is the SMILES notation for 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine?
The canonical SMILES for 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine is FC(F)(F)c1ccc(-c2nnc(-c3ccccn3)nc2OCc2ccccc2)cc1.
What is the InChIKey of 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine?
The InChIKey is KSUBKCCWLJFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)17-11-9-16(10-12-17)19-21(30-14-15-6-2-1-3-7-15)27-20(29-28-19)18-8-4-5-13-26-18/h1-13H,14H2.
What are the key properties of 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine?
5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine has a molecular weight of 408.38 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine is sourced from PubChem (CID 22118852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).