2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one

C9H4Cl2FN3O — CID 139690416

IUPAC2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one
SMILESO=c1nc(F)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H4Cl2FN3O/c10-5-1-6(11)3-7(2-5)15-9(16)14-8(12)4-13-15/h1-4H
InChIKeyIVVYPOFFEPHWPL-UHFFFAOYSA-N
MW260.06 g/mol
LogP2.07
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one

2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one (PubChem CID 139690416) has the molecular formula C9H4Cl2FN3O and a molecular weight of 260.06 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one
PubChem CID139690416
Molecular FormulaC9H4Cl2FN3O
Molecular Weight260.06 g/mol
Exact Mass258.97
IUPAC Name2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one
SMILESO=c1nc(F)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H4Cl2FN3O/c10-5-1-6(11)3-7(2-5)15-9(16)14-8(12)4-13-15/h1-4H
InChIKeyIVVYPOFFEPHWPL-UHFFFAOYSA-N
XLogP2.07
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one (CID 139690416) is 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one is O=c1nc(F)cnn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one?
The InChIKey is IVVYPOFFEPHWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FN3O/c10-5-1-6(11)3-7(2-5)15-9(16)14-8(12)4-13-15/h1-4H.
What are the key properties of 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one?
2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one has a molecular weight of 260.06 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-5-fluoro-1,2,4-triazin-3-one is sourced from PubChem (CID 139690416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).