2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione

C9H5ClFN3O2 — CID 14276939

IUPAC2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(-c2ccc(Cl)cc2F)c(=O)[nH]1
InChIInChI=1S/C9H5ClFN3O2/c10-5-1-2-7(6(11)3-5)14-9(16)13-8(15)4-12-14/h1-4H,(H,13,15,16)
InChIKeyRQIUXCDXBBMQBN-UHFFFAOYSA-N
MW241.61 g/mol
LogP0.71
Rot. Bonds1

About 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione

2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione (PubChem CID 14276939) has the molecular formula C9H5ClFN3O2 and a molecular weight of 241.61 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione
PubChem CID14276939
Molecular FormulaC9H5ClFN3O2
Molecular Weight241.61 g/mol
Exact Mass241.01
IUPAC Name2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(-c2ccc(Cl)cc2F)c(=O)[nH]1
InChIInChI=1S/C9H5ClFN3O2/c10-5-1-2-7(6(11)3-5)14-9(16)13-8(15)4-12-14/h1-4H,(H,13,15,16)
InChIKeyRQIUXCDXBBMQBN-UHFFFAOYSA-N
XLogP0.71
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.61
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione (CID 14276939) is 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione is O=c1cnn(-c2ccc(Cl)cc2F)c(=O)[nH]1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is RQIUXCDXBBMQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3O2/c10-5-1-2-7(6(11)3-5)14-9(16)13-8(15)4-12-14/h1-4H,(H,13,15,16).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione?
2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 241.61 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 14276939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).