2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one

C15H12FN3O — CID 18385328

IUPAC2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
SMILESCn1c(-c2ccccc2)nn(-c2ccccc2F)c1=O
InChIInChI=1S/C15H12FN3O/c1-18-14(11-7-3-2-4-8-11)17-19(15(18)20)13-10-6-5-9-12(13)16/h2-10H,1H3
InChIKeyWSFBWWSTYAIQRM-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.38
Rot. Bonds2

About 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one

2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one (PubChem CID 18385328) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
PubChem CID18385328
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
SMILESCn1c(-c2ccccc2)nn(-c2ccccc2F)c1=O
InChIInChI=1S/C15H12FN3O/c1-18-14(11-7-3-2-4-8-11)17-19(15(18)20)13-10-6-5-9-12(13)16/h2-10H,1H3
InChIKeyWSFBWWSTYAIQRM-UHFFFAOYSA-N
XLogP2.38
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one (CID 18385328) is 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one is Cn1c(-c2ccccc2)nn(-c2ccccc2F)c1=O.
What is the InChIKey of 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one?
The InChIKey is WSFBWWSTYAIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-18-14(11-7-3-2-4-8-11)17-19(15(18)20)13-10-6-5-9-12(13)16/h2-10H,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one?
2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one has a molecular weight of 269.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 18385328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).