6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione

C6H4N6O3 — CID 68634360

IUPAC6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Oc2ncncn2)[nH]c(=O)[nH]1
InChIInChI=1S/C6H4N6O3/c13-3-10-4(14)12-6(11-3)15-5-8-1-7-2-9-5/h1-2H,(H2,10,11,12,13,14)
InChIKeyHIOACAGFGHVWBI-UHFFFAOYSA-N
MW208.14 g/mol
LogP-1.56
Rot. Bonds2

About 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione

6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione (PubChem CID 68634360) has the molecular formula C6H4N6O3 and a molecular weight of 208.14 g/mol. Its IUPAC name is 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione
PubChem CID68634360
Molecular FormulaC6H4N6O3
Molecular Weight208.14 g/mol
Exact Mass208.03
IUPAC Name6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Oc2ncncn2)[nH]c(=O)[nH]1
InChIInChI=1S/C6H4N6O3/c13-3-10-4(14)12-6(11-3)15-5-8-1-7-2-9-5/h1-2H,(H2,10,11,12,13,14)
InChIKeyHIOACAGFGHVWBI-UHFFFAOYSA-N
XLogP-1.56
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione 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 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione (CID 68634360) is 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione is O=c1nc(Oc2ncncn2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is HIOACAGFGHVWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O3/c13-3-10-4(14)12-6(11-3)15-5-8-1-7-2-9-5/h1-2H,(H2,10,11,12,13,14).
What are the key properties of 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione?
6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 208.14 g/mol, XLogP of -1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,5-triazin-2-yloxy)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 68634360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).