4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol

C21H15N3O — CID 135521520

IUPAC4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol
SMILESOc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H15N3O/c25-18-13-11-17(12-14-18)21-22-19(15-7-3-1-4-8-15)20(23-24-21)16-9-5-2-6-10-16/h1-14,25H
InChIKeyBXWYJTBINWJUMP-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.58
Rot. Bonds3

About 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol

4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol (PubChem CID 135521520) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol.

Molecular Properties

Compound Name4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol
PubChem CID135521520
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol
SMILESOc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H15N3O/c25-18-13-11-17(12-14-18)21-22-19(15-7-3-1-4-8-15)20(23-24-21)16-9-5-2-6-10-16/h1-14,25H
InChIKeyBXWYJTBINWJUMP-UHFFFAOYSA-N
XLogP4.58
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-(4,5-Diphenyl-1H-imidazol-2-yl)phenol (for Biochemical Research)
CID 352144
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
Anitrazafen
CID 44410
4-(3-Amino-5-phenyl-1,2,4-triazin-6-yl)-2,6-dimethylphenol
CID 136074047
4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 57691336
as-Triazine, 5,6-diphenyl-3-phenoxy-
CID 202727
as-Triazine, 5,6-diphenyl-3-(p-tolyloxy)-
CID 3053048
4-(7-Methyl-2,3-diphenyl-imidazo[1,2-b][1,2,4]triazin-6-yl)-phenol
CID 16682159
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-phenoxy-
CID 3062889
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-phenoxy-, 2-oxide
CID 6410620
4-Hydroxybenzaldehyde (5,6-diphenyl-1,2,4-triazin-3-yl)hydrazone
CID 135437619

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol?
The IUPAC name of 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol (CID 135521520) is 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol.
What is the SMILES notation for 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol?
The canonical SMILES for 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol is Oc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol?
The InChIKey is BXWYJTBINWJUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-18-13-11-17(12-14-18)21-22-19(15-7-3-1-4-8-15)20(23-24-21)16-9-5-2-6-10-16/h1-14,25H.
What are the key properties of 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol?
4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol has a molecular weight of 325.37 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenol is sourced from PubChem (CID 135521520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).