3,4-ditert-butylpyridazine;ethane

C14H26N2 — CID 158921658

IUPAC3,4-ditert-butylpyridazine;ethane
SMILESCC.CC(C)(C)c1ccnnc1C(C)(C)C
InChIInChI=1S/C12H20N2.C2H6/c1-11(2,3)9-7-8-13-14-10(9)12(4,5)6;1-2/h7-8H,1-6H3;1-2H3
InChIKeyJHXHDAICZYNGSE-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.10
Rot. Bonds

About 3,4-ditert-butylpyridazine;ethane

3,4-ditert-butylpyridazine;ethane (PubChem CID 158921658) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3,4-ditert-butylpyridazine;ethane.

Molecular Properties

Compound Name3,4-ditert-butylpyridazine;ethane
PubChem CID158921658
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3,4-ditert-butylpyridazine;ethane
SMILESCC.CC(C)(C)c1ccnnc1C(C)(C)C
InChIInChI=1S/C12H20N2.C2H6/c1-11(2,3)9-7-8-13-14-10(9)12(4,5)6;1-2/h7-8H,1-6H3;1-2H3
InChIKeyJHXHDAICZYNGSE-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butylpyridazine;ethane?
The IUPAC name of 3,4-ditert-butylpyridazine;ethane (CID 158921658) is 3,4-ditert-butylpyridazine;ethane.
What is the SMILES notation for 3,4-ditert-butylpyridazine;ethane?
The canonical SMILES for 3,4-ditert-butylpyridazine;ethane is CC.CC(C)(C)c1ccnnc1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butylpyridazine;ethane?
The InChIKey is JHXHDAICZYNGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-11(2,3)9-7-8-13-14-10(9)12(4,5)6;1-2/h7-8H,1-6H3;1-2H3.
What are the key properties of 3,4-ditert-butylpyridazine;ethane?
3,4-ditert-butylpyridazine;ethane has a molecular weight of 222.38 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butylpyridazine;ethane is sourced from PubChem (CID 158921658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).