4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol

C11H9N5O — CID 11310709

IUPAC4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol
SMILESOc1ccc(Cc2nnc3nccnn23)cc1
InChIInChI=1S/C11H9N5O/c17-9-3-1-8(2-4-9)7-10-14-15-11-12-5-6-13-16(10)11/h1-6,17H,7H2
InChIKeyZTXKTJKIPYJLES-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.82
Rot. Bonds2

About 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol

4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol (PubChem CID 11310709) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol
PubChem CID11310709
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol
SMILESOc1ccc(Cc2nnc3nccnn23)cc1
InChIInChI=1S/C11H9N5O/c17-9-3-1-8(2-4-9)7-10-14-15-11-12-5-6-13-16(10)11/h1-6,17H,7H2
InChIKeyZTXKTJKIPYJLES-UHFFFAOYSA-N
XLogP0.82
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol?
The IUPAC name of 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol (CID 11310709) is 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol is Oc1ccc(Cc2nnc3nccnn23)cc1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol?
The InChIKey is ZTXKTJKIPYJLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c17-9-3-1-8(2-4-9)7-10-14-15-11-12-5-6-13-16(10)11/h1-6,17H,7H2.
What are the key properties of 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol?
4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol has a molecular weight of 227.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-ylmethyl)phenol is sourced from PubChem (CID 11310709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).