azane;1,3,5-triazine-2-sulfonic acid

C3H9N5O3S — CID 88834700

IUPACazane;1,3,5-triazine-2-sulfonic acid
SMILESN.N.O=S(=O)(O)c1ncncn1
InChIInChI=1S/C3H3N3O3S.2H3N/c7-10(8,9)3-5-1-4-2-6-3;;/h1-2H,(H,7,8,9);2*1H3
InChIKeyXPWIJRYKERVNOW-UHFFFAOYSA-N
MW195.20 g/mol
LogP-0.56
Rot. Bonds1

About azane;1,3,5-triazine-2-sulfonic acid

azane;1,3,5-triazine-2-sulfonic acid (PubChem CID 88834700) has the molecular formula C3H9N5O3S and a molecular weight of 195.20 g/mol. Its IUPAC name is azane;1,3,5-triazine-2-sulfonic acid.

Molecular Properties

Compound Nameazane;1,3,5-triazine-2-sulfonic acid
PubChem CID88834700
Molecular FormulaC3H9N5O3S
Molecular Weight195.20 g/mol
Exact Mass195.04
IUPAC Nameazane;1,3,5-triazine-2-sulfonic acid
SMILESN.N.O=S(=O)(O)c1ncncn1
InChIInChI=1S/C3H3N3O3S.2H3N/c7-10(8,9)3-5-1-4-2-6-3;;/h1-2H,(H,7,8,9);2*1H3
InChIKeyXPWIJRYKERVNOW-UHFFFAOYSA-N
XLogP-0.56
TPSA163.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1,3,5-triazine-2-sulfonic acid
CID 15608174
1,3,5-Triazine-2-sulfonic acid
CID 19823940
1,3,5-Triazine-2-sulfonamide
CID 20026162
1,3,5-Triazine-2-sulfonyl chloride
CID 21612059
1,3,5-Triazine-2,4-disulfonic acid
CID 54377941
4-(Diaminomethylideneamino)-1,3,5-triazine-2-sulfinate
CID 56630131
1,3,5-Triazine-2-sulfinate
CID 57191348
1,3,5-Triazine-2-sulfinic acid
CID 57191349
Amino 1,3,5-triazine-2-sulfonate
CID 57283303
Sulfane;1,3,5-triazine-2-sulfonic acid
CID 173288325
4-(Sulfomethylamino)-1,3,5-triazine-2-sulfonic acid
CID 173420894
4-Chloro-1,3,5-triazine-2-sulfonic acid
CID 174506704

Frequently Asked Questions

What is the IUPAC name of azane;1,3,5-triazine-2-sulfonic acid?
The IUPAC name of azane;1,3,5-triazine-2-sulfonic acid (CID 88834700) is azane;1,3,5-triazine-2-sulfonic acid.
What is the SMILES notation for azane;1,3,5-triazine-2-sulfonic acid?
The canonical SMILES for azane;1,3,5-triazine-2-sulfonic acid is N.N.O=S(=O)(O)c1ncncn1.
What is the InChIKey of azane;1,3,5-triazine-2-sulfonic acid?
The InChIKey is XPWIJRYKERVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3S.2H3N/c7-10(8,9)3-5-1-4-2-6-3;;/h1-2H,(H,7,8,9);2*1H3.
What are the key properties of azane;1,3,5-triazine-2-sulfonic acid?
azane;1,3,5-triazine-2-sulfonic acid has a molecular weight of 195.20 g/mol, XLogP of -0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3,5-triazine-2-sulfonic acid is sourced from PubChem (CID 88834700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).