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

C11H9N5O2 — CID 66281474

IUPAC6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNc1ccccc1Oc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C11H9N5O2/c12-7-3-1-2-4-8(7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,12H2,(H,14,17)
InChIKeyZGRGRBGYCPNUMB-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.79
Rot. Bonds2

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

6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281474) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281474
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNc1ccccc1Oc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C11H9N5O2/c12-7-3-1-2-4-8(7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,12H2,(H,14,17)
InChIKeyZGRGRBGYCPNUMB-UHFFFAOYSA-N
XLogP0.79
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.79
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-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281474) is 6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Nc1ccccc1Oc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is ZGRGRBGYCPNUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c12-7-3-1-2-4-8(7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,12H2,(H,14,17).
What are the key properties of 6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 243.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).