2-(2H-1,3,5-triazin-1-yl)phenol

C9H9N3O — CID 22661584

IUPAC2-(2H-1,3,5-triazin-1-yl)phenol
SMILESOc1ccccc1N1C=NC=NC1
InChIInChI=1S/C9H9N3O/c13-9-4-2-1-3-8(9)12-6-10-5-11-7-12/h1-6,13H,7H2
InChIKeyJLNXEJOCYYROMP-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.23
Rot. Bonds1

About 2-(2H-1,3,5-triazin-1-yl)phenol

2-(2H-1,3,5-triazin-1-yl)phenol (PubChem CID 22661584) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(2H-1,3,5-triazin-1-yl)phenol.

Molecular Properties

Compound Name2-(2H-1,3,5-triazin-1-yl)phenol
PubChem CID22661584
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(2H-1,3,5-triazin-1-yl)phenol
SMILESOc1ccccc1N1C=NC=NC1
InChIInChI=1S/C9H9N3O/c13-9-4-2-1-3-8(9)12-6-10-5-11-7-12/h1-6,13H,7H2
InChIKeyJLNXEJOCYYROMP-UHFFFAOYSA-N
XLogP1.23
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3,5-triazin-1-yl)phenol?
The IUPAC name of 2-(2H-1,3,5-triazin-1-yl)phenol (CID 22661584) is 2-(2H-1,3,5-triazin-1-yl)phenol.
What is the SMILES notation for 2-(2H-1,3,5-triazin-1-yl)phenol?
The canonical SMILES for 2-(2H-1,3,5-triazin-1-yl)phenol is Oc1ccccc1N1C=NC=NC1.
What is the InChIKey of 2-(2H-1,3,5-triazin-1-yl)phenol?
The InChIKey is JLNXEJOCYYROMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-9-4-2-1-3-8(9)12-6-10-5-11-7-12/h1-6,13H,7H2.
What are the key properties of 2-(2H-1,3,5-triazin-1-yl)phenol?
2-(2H-1,3,5-triazin-1-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3,5-triazin-1-yl)phenol is sourced from PubChem (CID 22661584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).