5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane

C19H23N3 — CID 67547751

IUPAC5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane
SMILESCc1cc(C)cc(-c2ccc(C34CCCN(CC3)C4)nn2)c1
InChIInChI=1S/C19H23N3/c1-14-10-15(2)12-16(11-14)17-4-5-18(21-20-17)19-6-3-8-22(13-19)9-7-19/h4-5,10-12H,3,6-9,13H2,1-2H3
InChIKeyHQFMTDKKAKTEJG-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.50
Rot. Bonds2

About 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane

5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane (PubChem CID 67547751) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane
PubChem CID67547751
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane
SMILESCc1cc(C)cc(-c2ccc(C34CCCN(CC3)C4)nn2)c1
InChIInChI=1S/C19H23N3/c1-14-10-15(2)12-16(11-14)17-4-5-18(21-20-17)19-6-3-8-22(13-19)9-7-19/h4-5,10-12H,3,6-9,13H2,1-2H3
InChIKeyHQFMTDKKAKTEJG-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane (CID 67547751) is 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane is Cc1cc(C)cc(-c2ccc(C34CCCN(CC3)C4)nn2)c1.
What is the InChIKey of 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane?
The InChIKey is HQFMTDKKAKTEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-14-10-15(2)12-16(11-14)17-4-5-18(21-20-17)19-6-3-8-22(13-19)9-7-19/h4-5,10-12H,3,6-9,13H2,1-2H3.
What are the key properties of 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane?
5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane has a molecular weight of 293.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67547751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).