3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine

C15H25N3 — CID 129258348

IUPAC3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
SMILESCC1CC(C)CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C15H25N3/c1-11-8-12(2)10-18(9-11)14-7-6-13(16-17-14)15(3,4)5/h6-7,11-12H,8-10H2,1-5H3
InChIKeyVNGAGFHYMUKGDT-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.26
Rot. Bonds1

About 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine

3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine (PubChem CID 129258348) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
PubChem CID129258348
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
SMILESCC1CC(C)CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C15H25N3/c1-11-8-12(2)10-18(9-11)14-7-6-13(16-17-14)15(3,4)5/h6-7,11-12H,8-10H2,1-5H3
InChIKeyVNGAGFHYMUKGDT-UHFFFAOYSA-N
XLogP3.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine (CID 129258348) is 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine is CC1CC(C)CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine?
The InChIKey is VNGAGFHYMUKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-8-12(2)10-18(9-11)14-7-6-13(16-17-14)15(3,4)5/h6-7,11-12H,8-10H2,1-5H3.
What are the key properties of 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine?
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine has a molecular weight of 247.39 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 129258348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).