1,3,5-triazine-2,4,6-trisulfonate

C3N3O9S3-3 — CID 158016627

IUPAC1,3,5-triazine-2,4,6-trisulfonate
SMILESO=S(=O)([O-])c1nc(S(=O)(=O)[O-])nc(S(=O)(=O)[O-])n1
InChIInChI=1S/C3H3N3O9S3/c7-16(8,9)1-4-2(17(10,11)12)6-3(5-1)18(13,14)15/h(H,7,8,9)(H,10,11,12)(H,13,14,15)/p-3
InChIKeyFFNXJNJCOZGLBM-UHFFFAOYSA-K
MW318.25 g/mol
LogP-3.42
Rot. Bonds3

About 1,3,5-triazine-2,4,6-trisulfonate

1,3,5-triazine-2,4,6-trisulfonate (PubChem CID 158016627) has the molecular formula C3N3O9S3-3 and a molecular weight of 318.25 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-trisulfonate.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-trisulfonate
PubChem CID158016627
Molecular FormulaC3N3O9S3-3
Molecular Weight318.25 g/mol
Exact Mass317.88
IUPAC Name1,3,5-triazine-2,4,6-trisulfonate
SMILESO=S(=O)([O-])c1nc(S(=O)(=O)[O-])nc(S(=O)(=O)[O-])n1
InChIInChI=1S/C3H3N3O9S3/c7-16(8,9)1-4-2(17(10,11)12)6-3(5-1)18(13,14)15/h(H,7,8,9)(H,10,11,12)(H,13,14,15)/p-3
InChIKeyFFNXJNJCOZGLBM-UHFFFAOYSA-K
XLogP-3.42
TPSA210.27 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.25
LogP ≤ 5-3.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,3,5-triazine-2,4,6-trisulfonate 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-triazine-2,4,6-trisulfonate?
The IUPAC name of 1,3,5-triazine-2,4,6-trisulfonate (CID 158016627) is 1,3,5-triazine-2,4,6-trisulfonate.
What is the SMILES notation for 1,3,5-triazine-2,4,6-trisulfonate?
The canonical SMILES for 1,3,5-triazine-2,4,6-trisulfonate is O=S(=O)([O-])c1nc(S(=O)(=O)[O-])nc(S(=O)(=O)[O-])n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-trisulfonate?
The InChIKey is FFNXJNJCOZGLBM-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H3N3O9S3/c7-16(8,9)1-4-2(17(10,11)12)6-3(5-1)18(13,14)15/h(H,7,8,9)(H,10,11,12)(H,13,14,15)/p-3.
What are the key properties of 1,3,5-triazine-2,4,6-trisulfonate?
1,3,5-triazine-2,4,6-trisulfonate has a molecular weight of 318.25 g/mol, XLogP of -3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4,6-trisulfonate is sourced from PubChem (CID 158016627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).