N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride

C16H23ClN6O2 — CID 71829767

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride
SMILESCOc1ccc2nnc(CCC(=O)NC3CN4CCC3CC4)n2n1.Cl
InChIInChI=1S/C16H22N6O2.ClH/c1-24-16-5-3-14-19-18-13(22(14)20-16)2-4-15(23)17-12-10-21-8-6-11(12)7-9-21;/h3,5,11-12H,2,4,6-10H2,1H3,(H,17,23);1H
InChIKeyAVRTZLWAOBIDIR-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.70
Rot. Bonds5

About N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride (PubChem CID 71829767) has the molecular formula C16H23ClN6O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride
PubChem CID71829767
Molecular FormulaC16H23ClN6O2
Molecular Weight366.85 g/mol
Exact Mass366.16
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride
SMILESCOc1ccc2nnc(CCC(=O)NC3CN4CCC3CC4)n2n1.Cl
InChIInChI=1S/C16H22N6O2.ClH/c1-24-16-5-3-14-19-18-13(22(14)20-16)2-4-15(23)17-12-10-21-8-6-11(12)7-9-21;/h3,5,11-12H,2,4,6-10H2,1H3,(H,17,23);1H
InChIKeyAVRTZLWAOBIDIR-UHFFFAOYSA-N
XLogP0.70
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride (CID 71829767) is N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride is COc1ccc2nnc(CCC(=O)NC3CN4CCC3CC4)n2n1.Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride?
The InChIKey is AVRTZLWAOBIDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2.ClH/c1-24-16-5-3-14-19-18-13(22(14)20-16)2-4-15(23)17-12-10-21-8-6-11(12)7-9-21;/h3,5,11-12H,2,4,6-10H2,1H3,(H,17,23);1H.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride?
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 71829767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).