3-tert-butyl-4,5,6-trimethylpyridazine

C11H18N2 — CID 58250590

IUPAC3-tert-butyl-4,5,6-trimethylpyridazine
SMILESCc1nnc(C(C)(C)C)c(C)c1C
InChIInChI=1S/C11H18N2/c1-7-8(2)10(11(4,5)6)13-12-9(7)3/h1-6H3
InChIKeyBGYKDCJUPDGVND-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.70
Rot. Bonds

About 3-tert-butyl-4,5,6-trimethylpyridazine

3-tert-butyl-4,5,6-trimethylpyridazine (PubChem CID 58250590) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-tert-butyl-4,5,6-trimethylpyridazine.

Molecular Properties

Compound Name3-tert-butyl-4,5,6-trimethylpyridazine
PubChem CID58250590
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-tert-butyl-4,5,6-trimethylpyridazine
SMILESCc1nnc(C(C)(C)C)c(C)c1C
InChIInChI=1S/C11H18N2/c1-7-8(2)10(11(4,5)6)13-12-9(7)3/h1-6H3
InChIKeyBGYKDCJUPDGVND-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,5,6-trimethylpyridazine?
The IUPAC name of 3-tert-butyl-4,5,6-trimethylpyridazine (CID 58250590) is 3-tert-butyl-4,5,6-trimethylpyridazine.
What is the SMILES notation for 3-tert-butyl-4,5,6-trimethylpyridazine?
The canonical SMILES for 3-tert-butyl-4,5,6-trimethylpyridazine is Cc1nnc(C(C)(C)C)c(C)c1C.
What is the InChIKey of 3-tert-butyl-4,5,6-trimethylpyridazine?
The InChIKey is BGYKDCJUPDGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7-8(2)10(11(4,5)6)13-12-9(7)3/h1-6H3.
What are the key properties of 3-tert-butyl-4,5,6-trimethylpyridazine?
3-tert-butyl-4,5,6-trimethylpyridazine has a molecular weight of 178.28 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,5,6-trimethylpyridazine is sourced from PubChem (CID 58250590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).