Cyameluric acid information

Cyameluric acid
	; Trihydroxy (imidic acid) tautomer
	; Tricarbonyl (amide) tautomer
Names
	IUPAC name 2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1,4,8-triene-3,7,11-trione
	Other names 1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione; 2,5,8-trihydroxy-s-heptazine; 1,4,7-trihydro-2,5,8-trioxo-s-heptazine
Identifiers
CAS Number	1502-46-1 ;
3D model (JSmol)	Interactive image;
Beilstein Reference	34555, 542266
ChEBI	CHEBI:38050; CHEBI:38052; CHEBI:38054;
ChemSpider	257010 ;
PubChem CID	291317;
UNII	FC54F41J58;
CompTox Dashboard (EPA)	DTXSID80164492;
	InChI InChI=1S/C6H3N7O3/c14-4-7-1-8-5(15)10-3-12-6(16)11-2(9-4)13(1)3/h(H3,7,8,9,10,11,12,14,15,16) Key: PBKYCCOBOHDCIT-UHFFFAOYSA-N;
	SMILES C1(=O)NC2=NC(=O)NC3=NC(=O)N=C(N23)N1;
Properties
Chemical formula	C6H3N7O3
Molar mass	221.13 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Cyameluric acid or 2,5,8-trihydroxy-s-heptazine is a chemical compound with formula C
₆N
₇O
₃H
₃, usually described as a heptazine molecule with the hydrogen atoms replaced by hydroxyl groups –OH; or any of its tautomers.

The substance exists as an equilibrium of 17 tautomers that easily interconvert among each other. Calculations show that the symmetric tri-oxo form (1,4,7-trihydro-2,5,8-trioxo-s-heptazine) is the most stable.^[1] Therefore, this compound contains amide groups rather than imidic acids.

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[alko2004-1] Cite error: The named reference alko2004 was invoked but never defined (see the help page).

Cyameluric acid information

and 4 Related for: Cyameluric acid information

Cyameluric acid

Hydromelonic acid

Heptazine

James Holmes Sturdivant

Names
Trihydroxy (imidic acid) tautomer
Tricarbonyl (amide) tautomer
IUPAC name 2,4,6,8,10,12,13-heptazatricyclo[7.3.1.0^5,13]trideca-1,4,8-triene-3,7,11-trione
Other names 1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione; 2,5,8-trihydroxy-s-heptazine; 1,4,7-trihydro-2,5,8-trioxo-s-heptazine
Identifiers
CAS Number	1502-46-1^Y
3D model (JSmol)	Interactive image
Beilstein Reference	34555, 542266
ChEBI	CHEBI:38050 CHEBI:38052 CHEBI:38054
ChemSpider	257010^N
PubChem CID	291317
UNII	FC54F41J58
CompTox Dashboard (EPA)	DTXSID80164492
InChI InChI=1S/C6H3N7O3/c14-4-7-1-8-5(15)10-3-12-6(16)11-2(9-4)13(1)3/h(H3,7,8,9,10,11,12,14,15,16) Key: PBKYCCOBOHDCIT-UHFFFAOYSA-N
SMILES C1(=O)NC2=NC(=O)NC3=NC(=O)N=C(N23)N1
Properties
Chemical formula	C₆H₃N₇O₃
Molar mass	221.13 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references