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

C7H6Cl2N2 — CID 15401908

IUPAC1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESClc1nnc(Cl)c2c1CCC2
InChIInChI=1S/C7H6Cl2N2/c8-6-4-2-1-3-5(4)7(9)11-10-6/h1-3H2
InChIKeyOCPOKZIBPKWKKF-UHFFFAOYSA-N
MW189.04 g/mol
LogP2.27
Rot. Bonds

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

1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 15401908) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.04 g/mol. Its IUPAC name is 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Name1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID15401908
Molecular FormulaC7H6Cl2N2
Molecular Weight189.04 g/mol
Exact Mass187.99
IUPAC Name1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESClc1nnc(Cl)c2c1CCC2
InChIInChI=1S/C7H6Cl2N2/c8-6-4-2-1-3-5(4)7(9)11-10-6/h1-3H2
InChIKeyOCPOKZIBPKWKKF-UHFFFAOYSA-N
XLogP2.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.04
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dichloro-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 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 15401908) is 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine is Clc1nnc(Cl)c2c1CCC2.
What is the InChIKey of 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is OCPOKZIBPKWKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2/c8-6-4-2-1-3-5(4)7(9)11-10-6/h1-3H2.
What are the key properties of 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine?
1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 189.04 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 15401908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).