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

C19H28N6O2 — CID 91637407

IUPACN-[[(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
SMILESCOc1ccc2nnc(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n2n1
InChIInChI=1S/C19H28N6O2/c1-27-19-10-8-17-22-21-16(25(17)23-19)7-9-18(26)20-13-14-5-4-12-24-11-3-2-6-15(14)24/h8,10,14-15H,2-7,9,11-13H2,1H3,(H,20,26)/t14-,15+/m0/s1
InChIKeyRSFMGTUNHPMHAU-LSDHHAIUSA-N
MW372.47 g/mol
LogP1.45
Rot. Bonds6

About 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

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 (PubChem CID 91637407) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID91637407
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[[(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
SMILESCOc1ccc2nnc(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n2n1
InChIInChI=1S/C19H28N6O2/c1-27-19-10-8-17-22-21-16(25(17)23-19)7-9-18(26)20-13-14-5-4-12-24-11-3-2-6-15(14)24/h8,10,14-15H,2-7,9,11-13H2,1H3,(H,20,26)/t14-,15+/m0/s1
InChIKeyRSFMGTUNHPMHAU-LSDHHAIUSA-N
XLogP1.45
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-(2-(cyclohex-1-en-1-yl)ethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
CID 56763172
3-(4-{6-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}piperidin-1-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 126911706
4,4,4-Trifluoro-1-(4-{6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}piperidin-1-yl)butan-1-one
CID 145883592
1-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 166270512
1-(3,3-Difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 166289170
N-cycloheptyl-4-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
CID 56761406
N-cyclooctyl-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56761604
N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
CID 56762085
N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56762203
N-cyclohexyl-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56762213
N-(2-(cyclohex-1-en-1-yl)ethyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56762766
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56763348

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 91637407) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2nnc(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)n2n1.
What is the InChIKey of 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?
The InChIKey is RSFMGTUNHPMHAU-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-27-19-10-8-17-22-21-16(25(17)23-19)7-9-18(26)20-13-14-5-4-12-24-11-3-2-6-15(14)24/h8,10,14-15H,2-7,9,11-13H2,1H3,(H,20,26)/t14-,15+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 372.47 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91637407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).