N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C21H26N6O2 — CID 56763348

IUPACN-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2n1
InChIInChI=1S/C21H26N6O2/c1-29-21-10-8-19-24-23-18(27(19)25-21)7-9-20(28)22-17-11-13-26(14-12-17)15-16-5-3-2-4-6-16/h2-6,8,10,17H,7,9,11-15H2,1H3,(H,22,28)
InChIKeyUBKPARACWGXCRO-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.85
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 56763348) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID56763348
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2n1
InChIInChI=1S/C21H26N6O2/c1-29-21-10-8-19-24-23-18(27(19)25-21)7-9-20(28)22-17-11-13-26(14-12-17)15-16-5-3-2-4-6-16/h2-6,8,10,17H,7,9,11-15H2,1H3,(H,22,28)
InChIKeyUBKPARACWGXCRO-UHFFFAOYSA-N
XLogP1.85
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 56763348) is N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc2nnc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)n2n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is UBKPARACWGXCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-29-21-10-8-19-24-23-18(27(19)25-21)7-9-20(28)22-17-11-13-26(14-12-17)15-16-5-3-2-4-6-16/h2-6,8,10,17H,7,9,11-15H2,1H3,(H,22,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 394.48 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 56763348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).