4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol

C18H14N4O — CID 24901696

IUPAC4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2
InChIKeyZGJYGQLGSXWEMY-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.09
Rot. Bonds3

About 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol

4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol (PubChem CID 24901696) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
PubChem CID24901696
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2
InChIKeyZGJYGQLGSXWEMY-UHFFFAOYSA-N
XLogP3.09
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol (CID 24901696) is 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol is Oc1ccc(Cc2nnc3ccc(-c4ccccc4)nn23)cc1.
What is the InChIKey of 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol?
The InChIKey is ZGJYGQLGSXWEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-15-8-6-13(7-9-15)12-18-20-19-17-11-10-16(21-22(17)18)14-4-2-1-3-5-14/h1-11,23H,12H2.
What are the key properties of 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol?
4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol has a molecular weight of 302.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol is sourced from PubChem (CID 24901696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).