6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine

C16H12FN3O — CID 171920546

IUPAC6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2ncc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C16H12FN3O/c1-21-14-8-4-12(5-9-14)16-18-10-15(19-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
InChIKeyXMNLECQWWIPOCX-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.35
Rot. Bonds3

About 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine

6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine (PubChem CID 171920546) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
PubChem CID171920546
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
SMILESCOc1ccc(-c2ncc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C16H12FN3O/c1-21-14-8-4-12(5-9-14)16-18-10-15(19-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3
InChIKeyXMNLECQWWIPOCX-UHFFFAOYSA-N
XLogP3.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine?
The IUPAC name of 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine (CID 171920546) is 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine is COc1ccc(-c2ncc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine?
The InChIKey is XMNLECQWWIPOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-21-14-8-4-12(5-9-14)16-18-10-15(19-20-16)11-2-6-13(17)7-3-11/h2-10H,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine?
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine has a molecular weight of 281.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine is sourced from PubChem (CID 171920546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).