4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine

C13H11ClN2 — CID 86614164

IUPAC4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESClc1nnc(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C13H11ClN2/c14-13-11-8-4-7-10(11)12(15-16-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyZMDLHWCZLVZBKP-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.29
Rot. Bonds1

About 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine

4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 86614164) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Name4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID86614164
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESClc1nnc(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C13H11ClN2/c14-13-11-8-4-7-10(11)12(15-16-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyZMDLHWCZLVZBKP-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]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 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 86614164) is 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine is Clc1nnc(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is ZMDLHWCZLVZBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-13-11-8-4-7-10(11)12(15-16-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine?
4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 230.70 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 86614164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).