6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide

C12H16N4O2 — CID 114199740

IUPAC6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(OC2CC3CCC(C2)N3)nn1
InChIInChI=1S/C12H16N4O2/c13-12(17)10-3-4-11(16-15-10)18-9-5-7-1-2-8(6-9)14-7/h3-4,7-9,14H,1-2,5-6H2,(H2,13,17)
InChIKeyFETKXCINKGXZTH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.24
Rot. Bonds3

About 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide

6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide (PubChem CID 114199740) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide
PubChem CID114199740
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(OC2CC3CCC(C2)N3)nn1
InChIInChI=1S/C12H16N4O2/c13-12(17)10-3-4-11(16-15-10)18-9-5-7-1-2-8(6-9)14-7/h3-4,7-9,14H,1-2,5-6H2,(H2,13,17)
InChIKeyFETKXCINKGXZTH-UHFFFAOYSA-N
XLogP0.24
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide?
The IUPAC name of 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide (CID 114199740) is 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide?
The canonical SMILES for 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide is NC(=O)c1ccc(OC2CC3CCC(C2)N3)nn1.
What is the InChIKey of 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide?
The InChIKey is FETKXCINKGXZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-12(17)10-3-4-11(16-15-10)18-9-5-7-1-2-8(6-9)14-7/h3-4,7-9,14H,1-2,5-6H2,(H2,13,17).
What are the key properties of 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide?
6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azabicyclo[3.2.1]octan-3-yloxy)pyridazine-3-carboxamide is sourced from PubChem (CID 114199740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).