sulfuric acid;1,3,5-triazin-2-amine

C3H6N4O4S — CID 66602144

IUPACsulfuric acid;1,3,5-triazin-2-amine
SMILESNc1ncncn1.O=S(=O)(O)O
InChIInChI=1S/C3H4N4.H2O4S/c4-3-6-1-5-2-7-3;1-5(2,3)4/h1-2H,(H2,4,5,6,7);(H2,1,2,3,4)
InChIKeyLHZFGFYVCHRHIC-UHFFFAOYSA-N
MW194.17 g/mol
LogP-1.20
Rot. Bonds

About sulfuric acid;1,3,5-triazin-2-amine

sulfuric acid;1,3,5-triazin-2-amine (PubChem CID 66602144) has the molecular formula C3H6N4O4S and a molecular weight of 194.17 g/mol. Its IUPAC name is sulfuric acid;1,3,5-triazin-2-amine.

Molecular Properties

Compound Namesulfuric acid;1,3,5-triazin-2-amine
PubChem CID66602144
Molecular FormulaC3H6N4O4S
Molecular Weight194.17 g/mol
Exact Mass194.01
IUPAC Namesulfuric acid;1,3,5-triazin-2-amine
SMILESNc1ncncn1.O=S(=O)(O)O
InChIInChI=1S/C3H4N4.H2O4S/c4-3-6-1-5-2-7-3;1-5(2,3)4/h1-2H,(H2,4,5,6,7);(H2,1,2,3,4)
InChIKeyLHZFGFYVCHRHIC-UHFFFAOYSA-N
XLogP-1.20
TPSA139.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-triazin-2-amine?
The IUPAC name of sulfuric acid;1,3,5-triazin-2-amine (CID 66602144) is sulfuric acid;1,3,5-triazin-2-amine.
What is the SMILES notation for sulfuric acid;1,3,5-triazin-2-amine?
The canonical SMILES for sulfuric acid;1,3,5-triazin-2-amine is Nc1ncncn1.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;1,3,5-triazin-2-amine?
The InChIKey is LHZFGFYVCHRHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4.H2O4S/c4-3-6-1-5-2-7-3;1-5(2,3)4/h1-2H,(H2,4,5,6,7);(H2,1,2,3,4).
What are the key properties of sulfuric acid;1,3,5-triazin-2-amine?
sulfuric acid;1,3,5-triazin-2-amine has a molecular weight of 194.17 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;1,3,5-triazin-2-amine is sourced from PubChem (CID 66602144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).