4-tert-butyl-3,6-dimethylpyridazine;ethane

C14H28N2 — CID 165399506

IUPAC4-tert-butyl-3,6-dimethylpyridazine;ethane
SMILESCC.CC.Cc1cc(C(C)(C)C)c(C)nn1
InChIInChI=1S/C10H16N2.2C2H6/c1-7-6-9(10(3,4)5)8(2)12-11-7;2*1-2/h6H,1-5H3;2*1-2H3
InChIKeyVAIPLYPILZRVAW-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.44
Rot. Bonds

About 4-tert-butyl-3,6-dimethylpyridazine;ethane

4-tert-butyl-3,6-dimethylpyridazine;ethane (PubChem CID 165399506) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-tert-butyl-3,6-dimethylpyridazine;ethane.

Molecular Properties

Compound Name4-tert-butyl-3,6-dimethylpyridazine;ethane
PubChem CID165399506
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-tert-butyl-3,6-dimethylpyridazine;ethane
SMILESCC.CC.Cc1cc(C(C)(C)C)c(C)nn1
InChIInChI=1S/C10H16N2.2C2H6/c1-7-6-9(10(3,4)5)8(2)12-11-7;2*1-2/h6H,1-5H3;2*1-2H3
InChIKeyVAIPLYPILZRVAW-UHFFFAOYSA-N
XLogP4.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,6-dimethylpyridazine;ethane?
The IUPAC name of 4-tert-butyl-3,6-dimethylpyridazine;ethane (CID 165399506) is 4-tert-butyl-3,6-dimethylpyridazine;ethane.
What is the SMILES notation for 4-tert-butyl-3,6-dimethylpyridazine;ethane?
The canonical SMILES for 4-tert-butyl-3,6-dimethylpyridazine;ethane is CC.CC.Cc1cc(C(C)(C)C)c(C)nn1.
What is the InChIKey of 4-tert-butyl-3,6-dimethylpyridazine;ethane?
The InChIKey is VAIPLYPILZRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.2C2H6/c1-7-6-9(10(3,4)5)8(2)12-11-7;2*1-2/h6H,1-5H3;2*1-2H3.
What are the key properties of 4-tert-butyl-3,6-dimethylpyridazine;ethane?
4-tert-butyl-3,6-dimethylpyridazine;ethane has a molecular weight of 224.39 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,6-dimethylpyridazine;ethane is sourced from PubChem (CID 165399506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).