4,5-ditert-butyl-3,6-dimethylpyridazine

C14H24N2 — CID 59102421

IUPAC4,5-ditert-butyl-3,6-dimethylpyridazine
SMILESCc1nnc(C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C14H24N2/c1-9-11(13(3,4)5)12(14(6,7)8)10(2)16-15-9/h1-8H3
InChIKeyIOXNPUDBEVZHRH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.69
Rot. Bonds

About 4,5-ditert-butyl-3,6-dimethylpyridazine

4,5-ditert-butyl-3,6-dimethylpyridazine (PubChem CID 59102421) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4,5-ditert-butyl-3,6-dimethylpyridazine.

Molecular Properties

Compound Name4,5-ditert-butyl-3,6-dimethylpyridazine
PubChem CID59102421
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4,5-ditert-butyl-3,6-dimethylpyridazine
SMILESCc1nnc(C)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C14H24N2/c1-9-11(13(3,4)5)12(14(6,7)8)10(2)16-15-9/h1-8H3
InChIKeyIOXNPUDBEVZHRH-UHFFFAOYSA-N
XLogP3.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-3,6-dimethylpyridazine?
The IUPAC name of 4,5-ditert-butyl-3,6-dimethylpyridazine (CID 59102421) is 4,5-ditert-butyl-3,6-dimethylpyridazine.
What is the SMILES notation for 4,5-ditert-butyl-3,6-dimethylpyridazine?
The canonical SMILES for 4,5-ditert-butyl-3,6-dimethylpyridazine is Cc1nnc(C)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 4,5-ditert-butyl-3,6-dimethylpyridazine?
The InChIKey is IOXNPUDBEVZHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-9-11(13(3,4)5)12(14(6,7)8)10(2)16-15-9/h1-8H3.
What are the key properties of 4,5-ditert-butyl-3,6-dimethylpyridazine?
4,5-ditert-butyl-3,6-dimethylpyridazine has a molecular weight of 220.36 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-3,6-dimethylpyridazine is sourced from PubChem (CID 59102421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).