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

C19H15N3O — CID 24901698

IUPAC4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C19H15N3O/c23-17-9-6-14(7-10-17)12-19-21-20-18-11-8-16(13-22(18)19)15-4-2-1-3-5-15/h1-11,13,23H,12H2
InChIKeyAIZTYZRNBCCRMR-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.69
Rot. Bonds3

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

4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (PubChem CID 24901698) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
PubChem CID24901698
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C19H15N3O/c23-17-9-6-14(7-10-17)12-19-21-20-18-11-8-16(13-22(18)19)15-4-2-1-3-5-15/h1-11,13,23H,12H2
InChIKeyAIZTYZRNBCCRMR-UHFFFAOYSA-N
XLogP3.69
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-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-a]pyridin-3-yl)methyl]phenol?
The IUPAC name of 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (CID 24901698) is 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is Oc1ccc(Cc2nnc3ccc(-c4ccccc4)cn23)cc1.
What is the InChIKey of 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The InChIKey is AIZTYZRNBCCRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-17-9-6-14(7-10-17)12-19-21-20-18-11-8-16(13-22(18)19)15-4-2-1-3-5-15/h1-11,13,23H,12H2.
What are the key properties of 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol has a molecular weight of 301.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 24901698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).