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

C10H13N5O3 — CID 66281852

IUPAC6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3COCCO3)nn12
InChIInChI=1S/C10H13N5O3/c16-10-13-12-9-2-1-8(14-15(9)10)11-5-7-6-17-3-4-18-7/h1-2,7H,3-6H2,(H,11,14)(H,13,16)
InChIKeyQLRGXEDVZKKFCG-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.76
Rot. Bonds3

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

6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281852) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281852
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC3COCCO3)nn12
InChIInChI=1S/C10H13N5O3/c16-10-13-12-9-2-1-8(14-15(9)10)11-5-7-6-17-3-4-18-7/h1-2,7H,3-6H2,(H,11,14)(H,13,16)
InChIKeyQLRGXEDVZKKFCG-UHFFFAOYSA-N
XLogP-0.76
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284395
6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282429
6-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283625
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106102384
6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282645
6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 115360732
6-[[1-(aminomethyl)cyclohexyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 103970479
6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284402
6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine
CID 80647845
N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
CID 66283992
6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282449
6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282443

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281852) is 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCC3COCCO3)nn12.
What is the InChIKey of 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is QLRGXEDVZKKFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c16-10-13-12-9-2-1-8(14-15(9)10)11-5-7-6-17-3-4-18-7/h1-2,7H,3-6H2,(H,11,14)(H,13,16).
What are the key properties of 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 251.25 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxan-2-ylmethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).