3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine

C11H15ClN2 — CID 165372118

IUPAC3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine
SMILESCC(C)(C)c1ccc(C2CC2Cl)nn1
InChIInChI=1S/C11H15ClN2/c1-11(2,3)10-5-4-9(13-14-10)7-6-8(7)12/h4-5,7-8H,6H2,1-3H3
InChIKeyJSHSBOHISSUGEA-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.87
Rot. Bonds1

About 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine

3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine (PubChem CID 165372118) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine
PubChem CID165372118
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine
SMILESCC(C)(C)c1ccc(C2CC2Cl)nn1
InChIInChI=1S/C11H15ClN2/c1-11(2,3)10-5-4-9(13-14-10)7-6-8(7)12/h4-5,7-8H,6H2,1-3H3
InChIKeyJSHSBOHISSUGEA-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine?
The IUPAC name of 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine (CID 165372118) is 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine.
What is the SMILES notation for 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine?
The canonical SMILES for 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine is CC(C)(C)c1ccc(C2CC2Cl)nn1.
What is the InChIKey of 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine?
The InChIKey is JSHSBOHISSUGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-11(2,3)10-5-4-9(13-14-10)7-6-8(7)12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine?
3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine has a molecular weight of 210.71 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2-chlorocyclopropyl)pyridazine is sourced from PubChem (CID 165372118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).