6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine

C13H15ClN2 — CID 67604658

IUPAC6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine
SMILESCc1ccccc1CCN1C=CC=C(Cl)N1
InChIInChI=1S/C13H15ClN2/c1-11-5-2-3-6-12(11)8-10-16-9-4-7-13(14)15-16/h2-7,9,15H,8,10H2,1H3
InChIKeyVABDNCQXDAGDLP-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.95
Rot. Bonds3

About 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine

6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine (PubChem CID 67604658) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine.

Molecular Properties

Compound Name6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine
PubChem CID67604658
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine
SMILESCc1ccccc1CCN1C=CC=C(Cl)N1
InChIInChI=1S/C13H15ClN2/c1-11-5-2-3-6-12(11)8-10-16-9-4-7-13(14)15-16/h2-7,9,15H,8,10H2,1H3
InChIKeyVABDNCQXDAGDLP-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125787
6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404223
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
CID 57429570
CID 57429570
CID 140700178
CID 140700178
4,4-dimethyl-1-(2-methylphenyl)pentan-3-amine
CID 43175879
1-(4-chloropentyl)-2-methylbenzene
CID 64515868
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
1-(chloromethyl)-2-methylbenzene
CID 11093
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
1-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
CID 173307383

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine?
The IUPAC name of 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine (CID 67604658) is 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine.
What is the SMILES notation for 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine?
The canonical SMILES for 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine is Cc1ccccc1CCN1C=CC=C(Cl)N1.
What is the InChIKey of 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine?
The InChIKey is VABDNCQXDAGDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-11-5-2-3-6-12(11)8-10-16-9-4-7-13(14)15-16/h2-7,9,15H,8,10H2,1H3.
What are the key properties of 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine?
6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine has a molecular weight of 234.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(2-methylphenyl)ethyl]-1H-pyridazine is sourced from PubChem (CID 67604658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).