3-(triazin-4-yloxy)phenol

C9H7N3O2 — CID 67610673

IUPAC3-(triazin-4-yloxy)phenol
SMILESOc1cccc(Oc2ccnnn2)c1
InChIInChI=1S/C9H7N3O2/c13-7-2-1-3-8(6-7)14-9-4-5-10-12-11-9/h1-6,13H
InChIKeyWHVWATCGTFYHSS-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.37
Rot. Bonds2

About 3-(triazin-4-yloxy)phenol

3-(triazin-4-yloxy)phenol (PubChem CID 67610673) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-(triazin-4-yloxy)phenol.

Molecular Properties

Compound Name3-(triazin-4-yloxy)phenol
PubChem CID67610673
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-(triazin-4-yloxy)phenol
SMILESOc1cccc(Oc2ccnnn2)c1
InChIInChI=1S/C9H7N3O2/c13-7-2-1-3-8(6-7)14-9-4-5-10-12-11-9/h1-6,13H
InChIKeyWHVWATCGTFYHSS-UHFFFAOYSA-N
XLogP1.37
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(triazin-4-yloxy)phenol?
The IUPAC name of 3-(triazin-4-yloxy)phenol (CID 67610673) is 3-(triazin-4-yloxy)phenol.
What is the SMILES notation for 3-(triazin-4-yloxy)phenol?
The canonical SMILES for 3-(triazin-4-yloxy)phenol is Oc1cccc(Oc2ccnnn2)c1.
What is the InChIKey of 3-(triazin-4-yloxy)phenol?
The InChIKey is WHVWATCGTFYHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-7-2-1-3-8(6-7)14-9-4-5-10-12-11-9/h1-6,13H.
What are the key properties of 3-(triazin-4-yloxy)phenol?
3-(triazin-4-yloxy)phenol has a molecular weight of 189.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazin-4-yloxy)phenol is sourced from PubChem (CID 67610673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).