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

C8H11N5O2 — CID 66281647

IUPAC6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCOCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C8H11N5O2/c1-15-5-4-9-6-2-3-7-10-11-8(14)13(7)12-6/h2-3H,4-5H2,1H3,(H,9,12)(H,11,14)
InChIKeyWKABBKYDAFUGMM-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.52
Rot. Bonds4

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

6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281647) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281647
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCOCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C8H11N5O2/c1-15-5-4-9-6-2-3-7-10-11-8(14)13(7)12-6/h2-3H,4-5H2,1H3,(H,9,12)(H,11,14)
InChIKeyWKABBKYDAFUGMM-UHFFFAOYSA-N
XLogP-0.52
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281647) is 6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is COCCNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is WKABBKYDAFUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-15-5-4-9-6-2-3-7-10-11-8(14)13(7)12-6/h2-3H,4-5H2,1H3,(H,9,12)(H,11,14).
What are the key properties of 6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 209.21 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).