2,6-ditert-butyl-1H-pyridazine

C12H22N2 — CID 69060860

IUPAC2,6-ditert-butyl-1H-pyridazine
SMILESCC(C)(C)C1=CC=CN(C(C)(C)C)N1
InChIInChI=1S/C12H22N2/c1-11(2,3)10-8-7-9-14(13-10)12(4,5)6/h7-9,13H,1-6H3
InChIKeyOTVLOKKIROCTDZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.05
Rot. Bonds

About 2,6-ditert-butyl-1H-pyridazine

2,6-ditert-butyl-1H-pyridazine (PubChem CID 69060860) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,6-ditert-butyl-1H-pyridazine.

Molecular Properties

Compound Name2,6-ditert-butyl-1H-pyridazine
PubChem CID69060860
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2,6-ditert-butyl-1H-pyridazine
SMILESCC(C)(C)C1=CC=CN(C(C)(C)C)N1
InChIInChI=1S/C12H22N2/c1-11(2,3)10-8-7-9-14(13-10)12(4,5)6/h7-9,13H,1-6H3
InChIKeyOTVLOKKIROCTDZ-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1H-pyridazine?
The IUPAC name of 2,6-ditert-butyl-1H-pyridazine (CID 69060860) is 2,6-ditert-butyl-1H-pyridazine.
What is the SMILES notation for 2,6-ditert-butyl-1H-pyridazine?
The canonical SMILES for 2,6-ditert-butyl-1H-pyridazine is CC(C)(C)C1=CC=CN(C(C)(C)C)N1.
What is the InChIKey of 2,6-ditert-butyl-1H-pyridazine?
The InChIKey is OTVLOKKIROCTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)10-8-7-9-14(13-10)12(4,5)6/h7-9,13H,1-6H3.
What are the key properties of 2,6-ditert-butyl-1H-pyridazine?
2,6-ditert-butyl-1H-pyridazine has a molecular weight of 194.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1H-pyridazine is sourced from PubChem (CID 69060860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).