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

C10H15N5O3 — CID 66282248

IUPAC6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCOCCOCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N5O3/c1-17-6-7-18-5-4-11-8-2-3-9-12-13-10(16)15(9)14-8/h2-3H,4-7H2,1H3,(H,11,14)(H,13,16)
InChIKeyASWHKIYNHCYBGM-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.51
Rot. Bonds7

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

6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282248) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282248
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCOCCOCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N5O3/c1-17-6-7-18-5-4-11-8-2-3-9-12-13-10(16)15(9)14-8/h2-3H,4-7H2,1H3,(H,11,14)(H,13,16)
InChIKeyASWHKIYNHCYBGM-UHFFFAOYSA-N
XLogP-0.51
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282248) is 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is COCCOCCNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is ASWHKIYNHCYBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-17-6-7-18-5-4-11-8-2-3-9-12-13-10(16)15(9)14-8/h2-3H,4-7H2,1H3,(H,11,14)(H,13,16).
What are the key properties of 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 253.26 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).