3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine

C10H14Cl2N2 — CID 14024165

IUPAC3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine
SMILESCCCC(C)(C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-4-5-10(2,3)7-6-8(11)13-14-9(7)12/h6H,4-5H2,1-3H3
InChIKeyVSTQWIZTHIFVQY-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.86
Rot. Bonds3

About 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine

3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine (PubChem CID 14024165) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine
PubChem CID14024165
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine
SMILESCCCC(C)(C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-4-5-10(2,3)7-6-8(11)13-14-9(7)12/h6H,4-5H2,1-3H3
InChIKeyVSTQWIZTHIFVQY-UHFFFAOYSA-N
XLogP3.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.86
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-(2-methylpentan-2-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine (CID 14024165) is 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine is CCCC(C)(C)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine?
The InChIKey is VSTQWIZTHIFVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-4-5-10(2,3)7-6-8(11)13-14-9(7)12/h6H,4-5H2,1-3H3.
What are the key properties of 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine?
3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine has a molecular weight of 233.14 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(2-methylpentan-2-yl)pyridazine is sourced from PubChem (CID 14024165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).