3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one

C15H9F2N3O — CID 135489640

IUPAC3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccccc2F)nnc1-c1ccc(F)cc1
InChIInChI=1S/C15H9F2N3O/c16-10-7-5-9(6-8-10)13-15(21)18-14(20-19-13)11-3-1-2-4-12(11)17/h1-8H,(H,18,20,21)
InChIKeySDIYTCDOCPDZGX-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.78
Rot. Bonds2

About 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one

3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one (PubChem CID 135489640) has the molecular formula C15H9F2N3O and a molecular weight of 285.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one
PubChem CID135489640
Molecular FormulaC15H9F2N3O
Molecular Weight285.25 g/mol
Exact Mass285.07
IUPAC Name3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccccc2F)nnc1-c1ccc(F)cc1
InChIInChI=1S/C15H9F2N3O/c16-10-7-5-9(6-8-10)13-15(21)18-14(20-19-13)11-3-1-2-4-12(11)17/h1-8H,(H,18,20,21)
InChIKeySDIYTCDOCPDZGX-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one (CID 135489640) is 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one is O=c1[nH]c(-c2ccccc2F)nnc1-c1ccc(F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one?
The InChIKey is SDIYTCDOCPDZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O/c16-10-7-5-9(6-8-10)13-15(21)18-14(20-19-13)11-3-1-2-4-12(11)17/h1-8H,(H,18,20,21).
What are the key properties of 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one?
3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one has a molecular weight of 285.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-(4-fluorophenyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135489640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).