6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H18N6O2 — CID 66282429

IUPAC6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCCN3CCOCC3)nn12
InChIInChI=1S/C12H18N6O2/c19-12-15-14-11-3-2-10(16-18(11)12)13-4-1-5-17-6-8-20-9-7-17/h2-3H,1,4-9H2,(H,13,16)(H,15,19)
InChIKeyVUZOEIJMYAJJBY-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.45
Rot. Bonds5

About 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282429) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282429
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCCCN3CCOCC3)nn12
InChIInChI=1S/C12H18N6O2/c19-12-15-14-11-3-2-10(16-18(11)12)13-4-1-5-17-6-8-20-9-7-17/h2-3H,1,4-9H2,(H,13,16)(H,15,19)
InChIKeyVUZOEIJMYAJJBY-UHFFFAOYSA-N
XLogP-0.45
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-[2-(2,2,2-trifluoroethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282253
6-[2-(2,2-difluoroethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103081336
6-(4-morpholinyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
CID 6612263
6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281454
6-(oxan-3-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281469
6-(3-piperazin-1-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281478
6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281647
6-(3-ethoxypropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281648
6-[2-(propylamino)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281690
6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281852
7-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281920
6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282055

Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282429) is 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCCCN3CCOCC3)nn12.
What is the InChIKey of 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is VUZOEIJMYAJJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c19-12-15-14-11-3-2-10(16-18(11)12)13-4-1-5-17-6-8-20-9-7-17/h2-3H,1,4-9H2,(H,13,16)(H,15,19).
What are the key properties of 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 278.32 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).