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

C14H24N2 — CID 59102413

IUPAC3,4-ditert-butyl-5,6-dimethylpyridazine
SMILESCc1nnc(C(C)(C)C)c(C(C)(C)C)c1C
InChIInChI=1S/C14H24N2/c1-9-10(2)15-16-12(14(6,7)8)11(9)13(3,4)5/h1-8H3
InChIKeyXNDOTPQTGHNKMF-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.69
Rot. Bonds

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

3,4-ditert-butyl-5,6-dimethylpyridazine (PubChem CID 59102413) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,4-ditert-butyl-5,6-dimethylpyridazine.

Molecular Properties

Compound Name3,4-ditert-butyl-5,6-dimethylpyridazine
PubChem CID59102413
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3,4-ditert-butyl-5,6-dimethylpyridazine
SMILESCc1nnc(C(C)(C)C)c(C(C)(C)C)c1C
InChIInChI=1S/C14H24N2/c1-9-10(2)15-16-12(14(6,7)8)11(9)13(3,4)5/h1-8H3
InChIKeyXNDOTPQTGHNKMF-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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Related Compounds

3-tert-butyl-4,5,6-trimethylpyridazine
CID 58250590
2,5-ditert-butyl-3,6-dimethylpyrazine
CID 143714636
4,5,6-tritert-butyl-2-methylpyrimidine
CID 21040087
4-tert-butyl-5-methyloxadiazole
CID 58828397
1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butyl-3,4,5,6-tetramethylpyridine;3-tert-butyl-2,4,5,6-tetramethylpyridine;4-tert-butyl-2,3,5,6-tetramethylpyridine;2-tert-butyl-3,5,6-trimethylpyrazine;4-tert-butyl-2,5,6-trimethylpyrimidine
CID 167657431
(5,6-ditert-butyl-4-propylpyridazin-3-yl)hydrazine
CID 155403726
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 158215736
CID 165399540
CID 165399540
(3,5,6-trimethylpyridazin-4-yl)thallium
CID 142223510
3,4,5-tritert-butyl-1,2-oxazole
CID 21040090
2,3,4-tritert-butyl-6-methylpyridine
CID 21040110
3,5-ditert-butyl-2,4,6-trimethylphenol
CID 19934176

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-5,6-dimethylpyridazine?
The IUPAC name of 3,4-ditert-butyl-5,6-dimethylpyridazine (CID 59102413) is 3,4-ditert-butyl-5,6-dimethylpyridazine.
What is the SMILES notation for 3,4-ditert-butyl-5,6-dimethylpyridazine?
The canonical SMILES for 3,4-ditert-butyl-5,6-dimethylpyridazine is Cc1nnc(C(C)(C)C)c(C(C)(C)C)c1C.
What is the InChIKey of 3,4-ditert-butyl-5,6-dimethylpyridazine?
The InChIKey is XNDOTPQTGHNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-9-10(2)15-16-12(14(6,7)8)11(9)13(3,4)5/h1-8H3.
What are the key properties of 3,4-ditert-butyl-5,6-dimethylpyridazine?
3,4-ditert-butyl-5,6-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 3,4-ditert-butyl-5,6-dimethylpyridazine is sourced from PubChem (CID 59102413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).