2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol

C11H8N4O — CID 170458444

IUPAC2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1nnc2cccnn12
InChIInChI=1S/C11H8N4O/c16-9-5-2-1-4-8(9)11-14-13-10-6-3-7-12-15(10)11/h1-7,16H
InChIKeyCNTMVJJYFUBXRI-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.50
Rot. Bonds1

About 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol

2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol (PubChem CID 170458444) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol
PubChem CID170458444
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1nnc2cccnn12
InChIInChI=1S/C11H8N4O/c16-9-5-2-1-4-8(9)11-14-13-10-6-3-7-12-15(10)11/h1-7,16H
InChIKeyCNTMVJJYFUBXRI-UHFFFAOYSA-N
XLogP1.50
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol?
The IUPAC name of 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol (CID 170458444) is 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol is Oc1ccccc1-c1nnc2cccnn12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol?
The InChIKey is CNTMVJJYFUBXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-9-5-2-1-4-8(9)11-14-13-10-6-3-7-12-15(10)11/h1-7,16H.
What are the key properties of 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol?
2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol has a molecular weight of 212.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol is sourced from PubChem (CID 170458444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).