1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium

C3H6N3O3+3 — CID 57126185

IUPAC1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium
SMILESO[n+]1c[n+](O)c[n+](O)c1
InChIInChI=1S/C3H6N3O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H/q+3
InChIKeyCPPFRHUSGQBXCI-UHFFFAOYSA-N
MW132.10 g/mol
LogP-2.74
Rot. Bonds

About 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium

1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium (PubChem CID 57126185) has the molecular formula C3H6N3O3+3 and a molecular weight of 132.10 g/mol. Its IUPAC name is 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium.

Molecular Properties

Compound Name1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium
PubChem CID57126185
Molecular FormulaC3H6N3O3+3
Molecular Weight132.10 g/mol
Exact Mass132.04
IUPAC Name1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium
SMILESO[n+]1c[n+](O)c[n+](O)c1
InChIInChI=1S/C3H6N3O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H/q+3
InChIKeyCPPFRHUSGQBXCI-UHFFFAOYSA-N
XLogP-2.74
TPSA72.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.10
LogP ≤ 5-2.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium 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 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium?
The IUPAC name of 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium (CID 57126185) is 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium.
What is the SMILES notation for 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium?
The canonical SMILES for 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium is O[n+]1c[n+](O)c[n+](O)c1.
What is the InChIKey of 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium?
The InChIKey is CPPFRHUSGQBXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N3O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H/q+3.
What are the key properties of 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium?
1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium has a molecular weight of 132.10 g/mol, XLogP of -2.74, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trihydroxy-1,3,5-triazine-1,3,5-triium is sourced from PubChem (CID 57126185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).