3,6-dichloro-4-cyclopentylpyridazine

C9H10Cl2N2 — CID 21187524

IUPAC3,6-dichloro-4-cyclopentylpyridazine
SMILESClc1cc(C2CCCC2)c(Cl)nn1
InChIInChI=1S/C9H10Cl2N2/c10-8-5-7(9(11)13-12-8)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyYYESFGLDKLTUCO-UHFFFAOYSA-N
MW217.10 g/mol
LogP3.44
Rot. Bonds1

About 3,6-dichloro-4-cyclopentylpyridazine

3,6-dichloro-4-cyclopentylpyridazine (PubChem CID 21187524) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 3,6-dichloro-4-cyclopentylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-cyclopentylpyridazine
PubChem CID21187524
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name3,6-dichloro-4-cyclopentylpyridazine
SMILESClc1cc(C2CCCC2)c(Cl)nn1
InChIInChI=1S/C9H10Cl2N2/c10-8-5-7(9(11)13-12-8)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyYYESFGLDKLTUCO-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-cyclopentylpyridazine?
The IUPAC name of 3,6-dichloro-4-cyclopentylpyridazine (CID 21187524) is 3,6-dichloro-4-cyclopentylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-cyclopentylpyridazine?
The canonical SMILES for 3,6-dichloro-4-cyclopentylpyridazine is Clc1cc(C2CCCC2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-cyclopentylpyridazine?
The InChIKey is YYESFGLDKLTUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c10-8-5-7(9(11)13-12-8)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 3,6-dichloro-4-cyclopentylpyridazine?
3,6-dichloro-4-cyclopentylpyridazine has a molecular weight of 217.10 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-cyclopentylpyridazine is sourced from PubChem (CID 21187524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).