N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide

C20H30N6O2 — CID 91637505

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCOc1ccc2nnc(CCCC(=O)NCC3CCCN4CCCCC34)n2n1
InChIInChI=1S/C20H30N6O2/c1-28-20-11-10-18-23-22-17(26(18)24-20)8-4-9-19(27)21-14-15-6-5-13-25-12-3-2-7-16(15)25/h10-11,15-16H,2-9,12-14H2,1H3,(H,21,27)
InChIKeyGLKCSNQQVHVVRC-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.84
Rot. Bonds7

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (PubChem CID 91637505) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
PubChem CID91637505
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCOc1ccc2nnc(CCCC(=O)NCC3CCCN4CCCCC34)n2n1
InChIInChI=1S/C20H30N6O2/c1-28-20-11-10-18-23-22-17(26(18)24-20)8-4-9-19(27)21-14-15-6-5-13-25-12-3-2-7-16(15)25/h10-11,15-16H,2-9,12-14H2,1H3,(H,21,27)
InChIKeyGLKCSNQQVHVVRC-UHFFFAOYSA-N
XLogP1.84
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (CID 91637505) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is COc1ccc2nnc(CCCC(=O)NCC3CCCN4CCCCC34)n2n1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The InChIKey is GLKCSNQQVHVVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-28-20-11-10-18-23-22-17(26(18)24-20)8-4-9-19(27)21-14-15-6-5-13-25-12-3-2-7-16(15)25/h10-11,15-16H,2-9,12-14H2,1H3,(H,21,27).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide has a molecular weight of 386.50 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is sourced from PubChem (CID 91637505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).