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

C9H13N5O2 — CID 66281454

IUPAC6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H13N5O2/c1-2-16-6-5-10-7-3-4-8-11-12-9(15)14(8)13-7/h3-4H,2,5-6H2,1H3,(H,10,13)(H,12,15)
InChIKeyRBPFOSHXOZPJGM-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.13
Rot. Bonds5

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

6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281454) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281454
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C9H13N5O2/c1-2-16-6-5-10-7-3-4-8-11-12-9(15)14(8)13-7/h3-4H,2,5-6H2,1H3,(H,10,13)(H,12,15)
InChIKeyRBPFOSHXOZPJGM-UHFFFAOYSA-N
XLogP-0.13
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.13
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-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281454) is 6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCOCCNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is RBPFOSHXOZPJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-2-16-6-5-10-7-3-4-8-11-12-9(15)14(8)13-7/h3-4H,2,5-6H2,1H3,(H,10,13)(H,12,15).
What are the key properties of 6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 223.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).