4-tert-butyl-3,6-dimethylpyridazine

C10H16N2 — CID 18344886

IUPAC4-tert-butyl-3,6-dimethylpyridazine
SMILESCc1cc(C(C)(C)C)c(C)nn1
InChIInChI=1S/C10H16N2/c1-7-6-9(10(3,4)5)8(2)12-11-7/h6H,1-5H3
InChIKeyQJAIAWFFUCQWRG-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.39
Rot. Bonds

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

4-tert-butyl-3,6-dimethylpyridazine (PubChem CID 18344886) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-tert-butyl-3,6-dimethylpyridazine.

Molecular Properties

Compound Name4-tert-butyl-3,6-dimethylpyridazine
PubChem CID18344886
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-tert-butyl-3,6-dimethylpyridazine
SMILESCc1cc(C(C)(C)C)c(C)nn1
InChIInChI=1S/C10H16N2/c1-7-6-9(10(3,4)5)8(2)12-11-7/h6H,1-5H3
InChIKeyQJAIAWFFUCQWRG-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.39
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?
The IUPAC name of 4-tert-butyl-3,6-dimethylpyridazine (CID 18344886) is 4-tert-butyl-3,6-dimethylpyridazine.
What is the SMILES notation for 4-tert-butyl-3,6-dimethylpyridazine?
The canonical SMILES for 4-tert-butyl-3,6-dimethylpyridazine is Cc1cc(C(C)(C)C)c(C)nn1.
What is the InChIKey of 4-tert-butyl-3,6-dimethylpyridazine?
The InChIKey is QJAIAWFFUCQWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-6-9(10(3,4)5)8(2)12-11-7/h6H,1-5H3.
What are the key properties of 4-tert-butyl-3,6-dimethylpyridazine?
4-tert-butyl-3,6-dimethylpyridazine has a molecular weight of 164.25 g/mol, XLogP of 2.39, 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 is sourced from PubChem (CID 18344886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).