4,5-ditert-butylpyridazine

C12H20N2 — CID 14787710

IUPAC4,5-ditert-butylpyridazine
SMILESCC(C)(C)c1cnncc1C(C)(C)C
InChIInChI=1S/C12H20N2/c1-11(2,3)9-7-13-14-8-10(9)12(4,5)6/h7-8H,1-6H3
InChIKeyPOMQIBSXIHJREU-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.07
Rot. Bonds

About 4,5-ditert-butylpyridazine

4,5-ditert-butylpyridazine (PubChem CID 14787710) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4,5-ditert-butylpyridazine.

Molecular Properties

Compound Name4,5-ditert-butylpyridazine
PubChem CID14787710
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4,5-ditert-butylpyridazine
SMILESCC(C)(C)c1cnncc1C(C)(C)C
InChIInChI=1S/C12H20N2/c1-11(2,3)9-7-13-14-8-10(9)12(4,5)6/h7-8H,1-6H3
InChIKeyPOMQIBSXIHJREU-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 4,5-ditert-butylpyridazine?
The IUPAC name of 4,5-ditert-butylpyridazine (CID 14787710) is 4,5-ditert-butylpyridazine.
What is the SMILES notation for 4,5-ditert-butylpyridazine?
The canonical SMILES for 4,5-ditert-butylpyridazine is CC(C)(C)c1cnncc1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butylpyridazine?
The InChIKey is POMQIBSXIHJREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11(2,3)9-7-13-14-8-10(9)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 4,5-ditert-butylpyridazine?
4,5-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 4,5-ditert-butylpyridazine is sourced from PubChem (CID 14787710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).