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

C16H11F3N4O — CID 22118823

IUPAC5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
SMILESCOc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N4O/c1-24-15-13(10-5-7-11(8-6-10)16(17,18)19)22-23-14(21-15)12-4-2-3-9-20-12/h2-9H,1H3
InChIKeyXTKQZSAMUADWGU-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.63
Rot. Bonds3

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

5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine (PubChem CID 22118823) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine.

Molecular Properties

Compound Name5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
PubChem CID22118823
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
SMILESCOc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N4O/c1-24-15-13(10-5-7-11(8-6-10)16(17,18)19)22-23-14(21-15)12-4-2-3-9-20-12/h2-9H,1H3
InChIKeyXTKQZSAMUADWGU-UHFFFAOYSA-N
XLogP3.63
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine?
The IUPAC name of 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine (CID 22118823) is 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine.
What is the SMILES notation for 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine?
The canonical SMILES for 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine is COc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine?
The InChIKey is XTKQZSAMUADWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c1-24-15-13(10-5-7-11(8-6-10)16(17,18)19)22-23-14(21-15)12-4-2-3-9-20-12/h2-9H,1H3.
What are the key properties of 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine?
5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine has a molecular weight of 332.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine is sourced from PubChem (CID 22118823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).