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

C11H8N4O3 — CID 66284223

IUPAC6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(Oc3cccc(O)c3)nn12
InChIInChI=1S/C11H8N4O3/c16-7-2-1-3-8(6-7)18-10-5-4-9-12-13-11(17)15(9)14-10/h1-6,16H,(H,13,17)
InChIKeyJLCBWPZQVUJYOJ-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.92
Rot. Bonds2

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

6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284223) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284223
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(Oc3cccc(O)c3)nn12
InChIInChI=1S/C11H8N4O3/c16-7-2-1-3-8(6-7)18-10-5-4-9-12-13-11(17)15(9)14-10/h1-6,16H,(H,13,17)
InChIKeyJLCBWPZQVUJYOJ-UHFFFAOYSA-N
XLogP0.92
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-amino-3-methylphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281673
4-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]thiophene-2-carboxylic acid
CID 66436480
6-[4-(methylaminomethyl)phenoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106486774
6-(4-amino-2,5-difluorophenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283034
6-(3-methoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 166632548
6-[2-(2-aminophenyl)ethoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102902822
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
6-(3-ethoxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 166632757
6-[(3-fluorophenyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282043
6-(2-hydroxy-3-methylbutyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284043
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol
CID 86257010

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66284223) is 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(Oc3cccc(O)c3)nn12.
What is the InChIKey of 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is JLCBWPZQVUJYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c16-7-2-1-3-8(6-7)18-10-5-4-9-12-13-11(17)15(9)14-10/h1-6,16H,(H,13,17).
What are the key properties of 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 244.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenoxy)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).