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

C9H6FN3O — CID 12581284

IUPAC6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one
SMILESO=c1ncc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C9H6FN3O/c10-7-3-1-6(2-4-7)8-5-11-9(14)13-12-8/h1-5H,(H,11,13,14)
InChIKeyKSDUGXFEJOPISE-UHFFFAOYSA-N
MW191.16 g/mol
LogP0.97
Rot. Bonds1

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

6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one (PubChem CID 12581284) has the molecular formula C9H6FN3O and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one
PubChem CID12581284
Molecular FormulaC9H6FN3O
Molecular Weight191.16 g/mol
Exact Mass191.05
IUPAC Name6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one
SMILESO=c1ncc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C9H6FN3O/c10-7-3-1-6(2-4-7)8-5-11-9(14)13-12-8/h1-5H,(H,11,13,14)
InChIKeyKSDUGXFEJOPISE-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylphenyl)-2H-1,2,4-triazin-3-one
CID 135077965
5-(4-fluorophenyl)-2H-1,2,4-triazin-3-one
CID 14923087
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
6-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 67224067
3-(4-fluorophenyl)-5-(sulfanylmethyl)-1H-pyridazin-6-one
CID 82445694
5-(4-fluorophenyl)pyrazine-2-carbonitrile
CID 69058774
5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 82445707
N-[5-(4-fluorophenyl)pyrazin-2-yl]acetamide
CID 86081806
2-(4-fluorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 66317416
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
CID 171920546
6-(4-fluorophenyl)-1H-pyridazin-4-one
CID 150520017

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one (CID 12581284) is 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one is O=c1ncc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one?
The InChIKey is KSDUGXFEJOPISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O/c10-7-3-1-6(2-4-7)8-5-11-9(14)13-12-8/h1-5H,(H,11,13,14).
What are the key properties of 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one?
6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one has a molecular weight of 191.16 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 12581284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).