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

C10H9ClFN3O — CID 134093346

IUPAC2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one
SMILESCN1CC=NN(c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C10H9ClFN3O/c1-14-5-4-13-15(10(14)16)9-3-2-7(11)6-8(9)12/h2-4,6H,5H2,1H3
InChIKeyGBBBUOSJZWVVJE-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.34
Rot. Bonds1

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

2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one (PubChem CID 134093346) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one
PubChem CID134093346
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one
SMILESCN1CC=NN(c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C10H9ClFN3O/c1-14-5-4-13-15(10(14)16)9-3-2-7(11)6-8(9)12/h2-4,6H,5H2,1H3
InChIKeyGBBBUOSJZWVVJE-UHFFFAOYSA-N
XLogP2.34
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one (CID 134093346) is 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one is CN1CC=NN(c2ccc(Cl)cc2F)C1=O.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one?
The InChIKey is GBBBUOSJZWVVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-14-5-4-13-15(10(14)16)9-3-2-7(11)6-8(9)12/h2-4,6H,5H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one?
2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one has a molecular weight of 241.65 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-4-methyl-5H-1,2,4-triazin-3-one is sourced from PubChem (CID 134093346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).