3-chloro-2-ethyl-5-phenyl-1H-pyridazine

C12H13ClN2 — CID 70475418

IUPAC3-chloro-2-ethyl-5-phenyl-1H-pyridazine
SMILESCCN1NC=C(c2ccccc2)C=C1Cl
InChIInChI=1S/C12H13ClN2/c1-2-15-12(13)8-11(9-14-15)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3
InChIKeyVHZVIDBTWFBKSJ-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.95
Rot. Bonds2

About 3-chloro-2-ethyl-5-phenyl-1H-pyridazine

3-chloro-2-ethyl-5-phenyl-1H-pyridazine (PubChem CID 70475418) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-chloro-2-ethyl-5-phenyl-1H-pyridazine.

Molecular Properties

Compound Name3-chloro-2-ethyl-5-phenyl-1H-pyridazine
PubChem CID70475418
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name3-chloro-2-ethyl-5-phenyl-1H-pyridazine
SMILESCCN1NC=C(c2ccccc2)C=C1Cl
InChIInChI=1S/C12H13ClN2/c1-2-15-12(13)8-11(9-14-15)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3
InChIKeyVHZVIDBTWFBKSJ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
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 3-chloro-2-ethyl-5-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-5-phenyl-1H-pyridazine?
The IUPAC name of 3-chloro-2-ethyl-5-phenyl-1H-pyridazine (CID 70475418) is 3-chloro-2-ethyl-5-phenyl-1H-pyridazine.
What is the SMILES notation for 3-chloro-2-ethyl-5-phenyl-1H-pyridazine?
The canonical SMILES for 3-chloro-2-ethyl-5-phenyl-1H-pyridazine is CCN1NC=C(c2ccccc2)C=C1Cl.
What is the InChIKey of 3-chloro-2-ethyl-5-phenyl-1H-pyridazine?
The InChIKey is VHZVIDBTWFBKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-2-15-12(13)8-11(9-14-15)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3.
What are the key properties of 3-chloro-2-ethyl-5-phenyl-1H-pyridazine?
3-chloro-2-ethyl-5-phenyl-1H-pyridazine has a molecular weight of 220.70 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-5-phenyl-1H-pyridazine is sourced from PubChem (CID 70475418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).