sulfuric acid;1,3,5-triazine

C3H5N3O4S — CID 20535505

IUPACsulfuric acid;1,3,5-triazine
SMILESO=S(=O)(O)O.c1ncncn1
InChIInChI=1S/C3H3N3.H2O4S/c1-4-2-6-3-5-1;1-5(2,3)4/h1-3H;(H2,1,2,3,4)
InChIKeyFMBLJRQAGNPKLR-UHFFFAOYSA-N
MW179.16 g/mol
LogP-0.78
Rot. Bonds

About sulfuric acid;1,3,5-triazine

sulfuric acid;1,3,5-triazine (PubChem CID 20535505) has the molecular formula C3H5N3O4S and a molecular weight of 179.16 g/mol. Its IUPAC name is sulfuric acid;1,3,5-triazine.

Molecular Properties

Compound Namesulfuric acid;1,3,5-triazine
PubChem CID20535505
Molecular FormulaC3H5N3O4S
Molecular Weight179.16 g/mol
Exact Mass179.00
IUPAC Namesulfuric acid;1,3,5-triazine
SMILESO=S(=O)(O)O.c1ncncn1
InChIInChI=1S/C3H3N3.H2O4S/c1-4-2-6-3-5-1;1-5(2,3)4/h1-3H;(H2,1,2,3,4)
InChIKeyFMBLJRQAGNPKLR-UHFFFAOYSA-N
XLogP-0.78
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;1,3,5-triazine?
The IUPAC name of sulfuric acid;1,3,5-triazine (CID 20535505) is sulfuric acid;1,3,5-triazine.
What is the SMILES notation for sulfuric acid;1,3,5-triazine?
The canonical SMILES for sulfuric acid;1,3,5-triazine is O=S(=O)(O)O.c1ncncn1.
What is the InChIKey of sulfuric acid;1,3,5-triazine?
The InChIKey is FMBLJRQAGNPKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.H2O4S/c1-4-2-6-3-5-1;1-5(2,3)4/h1-3H;(H2,1,2,3,4).
What are the key properties of sulfuric acid;1,3,5-triazine?
sulfuric acid;1,3,5-triazine has a molecular weight of 179.16 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;1,3,5-triazine is sourced from PubChem (CID 20535505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).