3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol

C14H14N6O2 — CID 118213801

IUPAC3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3nncn3n2)c1
InChIInChI=1S/C14H14N6O2/c21-11-3-1-2-10(8-11)12-16-13(19-4-6-22-7-5-19)14-17-15-9-20(14)18-12/h1-3,8-9,21H,4-7H2
InChIKeyLIPHSDLWFARVCB-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.73
Rot. Bonds2

About 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol

3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol (PubChem CID 118213801) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol.

Molecular Properties

Compound Name3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
PubChem CID118213801
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3nncn3n2)c1
InChIInChI=1S/C14H14N6O2/c21-11-3-1-2-10(8-11)12-16-13(19-4-6-22-7-5-19)14-17-15-9-20(14)18-12/h1-3,8-9,21H,4-7H2
InChIKeyLIPHSDLWFARVCB-UHFFFAOYSA-N
XLogP0.73
TPSA88.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-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

Frequently Asked Questions

What is the IUPAC name of 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol?
The IUPAC name of 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol (CID 118213801) is 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol.
What is the SMILES notation for 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol?
The canonical SMILES for 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)c3nncn3n2)c1.
What is the InChIKey of 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol?
The InChIKey is LIPHSDLWFARVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c21-11-3-1-2-10(8-11)12-16-13(19-4-6-22-7-5-19)14-17-15-9-20(14)18-12/h1-3,8-9,21H,4-7H2.
What are the key properties of 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol?
3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol has a molecular weight of 298.31 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol is sourced from PubChem (CID 118213801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).