sulfamic acid;triazin-4-amine

C3H7N5O3S — CID 67707689

IUPACsulfamic acid;triazin-4-amine
SMILESNS(=O)(=O)O.Nc1ccnnn1
InChIInChI=1S/C3H4N4.H3NO3S/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H3,1,2,3,4)
InChIKeyMZSXRQXPOHBGFT-UHFFFAOYSA-N
MW193.19 g/mol
LogP-1.80
Rot. Bonds

About sulfamic acid;triazin-4-amine

sulfamic acid;triazin-4-amine (PubChem CID 67707689) has the molecular formula C3H7N5O3S and a molecular weight of 193.19 g/mol. Its IUPAC name is sulfamic acid;triazin-4-amine.

Molecular Properties

Compound Namesulfamic acid;triazin-4-amine
PubChem CID67707689
Molecular FormulaC3H7N5O3S
Molecular Weight193.19 g/mol
Exact Mass193.03
IUPAC Namesulfamic acid;triazin-4-amine
SMILESNS(=O)(=O)O.Nc1ccnnn1
InChIInChI=1S/C3H4N4.H3NO3S/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H3,1,2,3,4)
InChIKeyMZSXRQXPOHBGFT-UHFFFAOYSA-N
XLogP-1.80
TPSA145.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 5-1.80
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 sulfamic acid;triazin-4-amine?
The IUPAC name of sulfamic acid;triazin-4-amine (CID 67707689) is sulfamic acid;triazin-4-amine.
What is the SMILES notation for sulfamic acid;triazin-4-amine?
The canonical SMILES for sulfamic acid;triazin-4-amine is NS(=O)(=O)O.Nc1ccnnn1.
What is the InChIKey of sulfamic acid;triazin-4-amine?
The InChIKey is MZSXRQXPOHBGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4.H3NO3S/c4-3-1-2-5-7-6-3;1-5(2,3)4/h1-2H,(H2,4,5,6);(H3,1,2,3,4).
What are the key properties of sulfamic acid;triazin-4-amine?
sulfamic acid;triazin-4-amine has a molecular weight of 193.19 g/mol, XLogP of -1.80, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamic acid;triazin-4-amine is sourced from PubChem (CID 67707689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).