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

C12H16N6O — CID 66282455

IUPAC6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNC1CC2CCC(C1)N2c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H16N6O/c13-7-5-8-1-2-9(6-7)17(8)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,7-9H,1-2,5-6,13H2,(H,15,19)
InChIKeyHUDPAVIPDFQDAF-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.12
Rot. Bonds1

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

6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282455) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282455
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNC1CC2CCC(C1)N2c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H16N6O/c13-7-5-8-1-2-9(6-7)17(8)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,7-9H,1-2,5-6,13H2,(H,15,19)
InChIKeyHUDPAVIPDFQDAF-UHFFFAOYSA-N
XLogP-0.12
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-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-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282455) is 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NC1CC2CCC(C1)N2c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is HUDPAVIPDFQDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-7-5-8-1-2-9(6-7)17(8)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,7-9H,1-2,5-6,13H2,(H,15,19).
What are the key properties of 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 260.30 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).