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

C13H13N5O2 — CID 102902822

IUPAC6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNc1ccccc1CCOc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C13H13N5O2/c14-10-4-2-1-3-9(10)7-8-20-12-6-5-11-15-16-13(19)18(11)17-12/h1-6H,7-8,14H2,(H,16,19)
InChIKeyRNHXCQSLOBLYAX-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.62
Rot. Bonds4

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

6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 102902822) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID102902822
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNc1ccccc1CCOc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C13H13N5O2/c14-10-4-2-1-3-9(10)7-8-20-12-6-5-11-15-16-13(19)18(11)17-12/h1-6H,7-8,14H2,(H,16,19)
InChIKeyRNHXCQSLOBLYAX-UHFFFAOYSA-N
XLogP0.62
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 102902822) is 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Nc1ccccc1CCOc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is RNHXCQSLOBLYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-10-4-2-1-3-9(10)7-8-20-12-6-5-11-15-16-13(19)18(11)17-12/h1-6H,7-8,14H2,(H,16,19).
What are the key properties of 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 271.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 102902822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).