6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine

C13H13ClFN3 — CID 113324935

IUPAC6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine
SMILESCNc1nnc(-c2ccc(F)cc2Cl)c(C)c1C
InChIInChI=1S/C13H13ClFN3/c1-7-8(2)13(16-3)18-17-12(7)10-5-4-9(15)6-11(10)14/h4-6H,1-3H3,(H,16,18)
InChIKeyRDMDFXWFYZVGJT-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.59
Rot. Bonds2

About 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine

6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine (PubChem CID 113324935) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine
PubChem CID113324935
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine
SMILESCNc1nnc(-c2ccc(F)cc2Cl)c(C)c1C
InChIInChI=1S/C13H13ClFN3/c1-7-8(2)13(16-3)18-17-12(7)10-5-4-9(15)6-11(10)14/h4-6H,1-3H3,(H,16,18)
InChIKeyRDMDFXWFYZVGJT-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine 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 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine (CID 113324935) is 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine is CNc1nnc(-c2ccc(F)cc2Cl)c(C)c1C.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine?
The InChIKey is RDMDFXWFYZVGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-7-8(2)13(16-3)18-17-12(7)10-5-4-9(15)6-11(10)14/h4-6H,1-3H3,(H,16,18).
What are the key properties of 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine?
6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine has a molecular weight of 265.72 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)-N,4,5-trimethylpyridazin-3-amine is sourced from PubChem (CID 113324935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).