6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H11N5O2 — CID 66282261

IUPAC6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1ccc(N)cc1Oc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H11N5O2/c1-7-2-3-8(13)6-9(7)19-11-5-4-10-14-15-12(18)17(10)16-11/h2-6H,13H2,1H3,(H,15,18)
InChIKeyKEYJGALFPDZNMI-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.10
Rot. Bonds2

About 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282261) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282261
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1ccc(N)cc1Oc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H11N5O2/c1-7-2-3-8(13)6-9(7)19-11-5-4-10-14-15-12(18)17(10)16-11/h2-6H,13H2,1H3,(H,15,18)
InChIKeyKEYJGALFPDZNMI-UHFFFAOYSA-N
XLogP1.10
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.10
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-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282261) is 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cc1ccc(N)cc1Oc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is KEYJGALFPDZNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-7-2-3-8(13)6-9(7)19-11-5-4-10-14-15-12(18)17(10)16-11/h2-6H,13H2,1H3,(H,15,18).
What are the key properties of 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 257.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).