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

C16H22N6O2 — CID 96557614

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)N[C@H]3CN4CCC3CC4)n2n1
InChIInChI=1S/C16H22N6O2/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)/t12-/m0/s1
InChIKeyYOYSPZJIWYLCDE-LBPRGKRZSA-N
MW330.39 g/mol
LogP0.28
Rot. Bonds5

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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 96557614) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID96557614
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)N[C@H]3CN4CCC3CC4)n2n1
InChIInChI=1S/C16H22N6O2/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)/t12-/m0/s1
InChIKeyYOYSPZJIWYLCDE-LBPRGKRZSA-N
XLogP0.28
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide with MolForge

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Related Compounds

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N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 96557614) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc2nnc(CCC(=O)N[C@H]3CN4CCC3CC4)n2n1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is YOYSPZJIWYLCDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6O2/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)/t12-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 96557614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).