6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C14H20N6O — CID 66284389

IUPAC6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN1C2CCC1CC(CNc1ccc3n[nH]c(=O)n3n1)C2
InChIInChI=1S/C14H20N6O/c1-19-10-2-3-11(19)7-9(6-10)8-15-12-4-5-13-16-17-14(21)20(13)18-12/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,18)(H,17,21)
InChIKeyIFVKFLBMIAKJEK-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.70
Rot. Bonds3

About 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284389) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284389
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN1C2CCC1CC(CNc1ccc3n[nH]c(=O)n3n1)C2
InChIInChI=1S/C14H20N6O/c1-19-10-2-3-11(19)7-9(6-10)8-15-12-4-5-13-16-17-14(21)20(13)18-12/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,18)(H,17,21)
InChIKeyIFVKFLBMIAKJEK-UHFFFAOYSA-N
XLogP0.70
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one 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 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66284389) is 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CN1C2CCC1CC(CNc1ccc3n[nH]c(=O)n3n1)C2.
What is the InChIKey of 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is IFVKFLBMIAKJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-10-2-3-11(19)7-9(6-10)8-15-12-4-5-13-16-17-14(21)20(13)18-12/h4-5,9-11H,2-3,6-8H2,1H3,(H,15,18)(H,17,21).
What are the key properties of 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).