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

C15H12N4O — CID 853426

IUPAC2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol
SMILESNc1nc(-c2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C15H12N4O/c16-15-18-13(10-6-2-1-3-7-10)17-14(19-15)11-8-4-5-9-12(11)20/h1-9,20H,(H2,16,17,18,19)
InChIKeyPYRIHWXWFMRKLX-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.49
Rot. Bonds2

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

2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol (PubChem CID 853426) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol
PubChem CID853426
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol
SMILESNc1nc(-c2ccccc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C15H12N4O/c16-15-18-13(10-6-2-1-3-7-10)17-14(19-15)11-8-4-5-9-12(11)20/h1-9,20H,(H2,16,17,18,19)
InChIKeyPYRIHWXWFMRKLX-UHFFFAOYSA-N
XLogP2.49
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol (CID 853426) is 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol is Nc1nc(-c2ccccc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol?
The InChIKey is PYRIHWXWFMRKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15-18-13(10-6-2-1-3-7-10)17-14(19-15)11-8-4-5-9-12(11)20/h1-9,20H,(H2,16,17,18,19).
What are the key properties of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol?
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol has a molecular weight of 264.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 853426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).