3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane

C15H18N4O — CID 11572567

IUPAC3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(c1ccc(-c3ccoc3)nn1)C2
InChIInChI=1S/C15H18N4O/c1-18-12-2-3-13(18)9-19(8-12)15-5-4-14(16-17-15)11-6-7-20-10-11/h4-7,10,12-13H,2-3,8-9H2,1H3
InChIKeyFHKSYHPBPDFISF-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.02
Rot. Bonds2

About 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane

3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 11572567) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID11572567
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(c1ccc(-c3ccoc3)nn1)C2
InChIInChI=1S/C15H18N4O/c1-18-12-2-3-13(18)9-19(8-12)15-5-4-14(16-17-15)11-6-7-20-10-11/h4-7,10,12-13H,2-3,8-9H2,1H3
InChIKeyFHKSYHPBPDFISF-UHFFFAOYSA-N
XLogP2.02
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 11572567) is 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane is CN1C2CCC1CN(c1ccc(-c3ccoc3)nn1)C2.
What is the InChIKey of 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FHKSYHPBPDFISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-12-2-3-13(18)9-19(8-12)15-5-4-14(16-17-15)11-6-7-20-10-11/h4-7,10,12-13H,2-3,8-9H2,1H3.
What are the key properties of 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane?
3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 270.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(furan-3-yl)pyridazin-3-yl]-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 11572567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).