3,6-ditert-butylpyridazine

C12H20N2 — CID 14451140

IUPAC3,6-ditert-butylpyridazine
SMILESCC(C)(C)c1ccc(C(C)(C)C)nn1
InChIInChI=1S/C12H20N2/c1-11(2,3)9-7-8-10(14-13-9)12(4,5)6/h7-8H,1-6H3
InChIKeyVVFJVFIUQFEHPV-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.07
Rot. Bonds

About 3,6-ditert-butylpyridazine

3,6-ditert-butylpyridazine (PubChem CID 14451140) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3,6-ditert-butylpyridazine.

Molecular Properties

Compound Name3,6-ditert-butylpyridazine
PubChem CID14451140
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3,6-ditert-butylpyridazine
SMILESCC(C)(C)c1ccc(C(C)(C)C)nn1
InChIInChI=1S/C12H20N2/c1-11(2,3)9-7-8-10(14-13-9)12(4,5)6/h7-8H,1-6H3
InChIKeyVVFJVFIUQFEHPV-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butylpyridazine?
The IUPAC name of 3,6-ditert-butylpyridazine (CID 14451140) is 3,6-ditert-butylpyridazine.
What is the SMILES notation for 3,6-ditert-butylpyridazine?
The canonical SMILES for 3,6-ditert-butylpyridazine is CC(C)(C)c1ccc(C(C)(C)C)nn1.
What is the InChIKey of 3,6-ditert-butylpyridazine?
The InChIKey is VVFJVFIUQFEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(2,3)9-7-8-10(14-13-9)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 3,6-ditert-butylpyridazine?
3,6-ditert-butylpyridazine has a molecular weight of 192.31 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butylpyridazine is sourced from PubChem (CID 14451140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).