1,4-Dimethyl-1,2,4-triazolium Iodide

Catalog Number	ACM120317693-2
CAS	120317-69-3
Structure
Synonyms	1,4-Dimethyl-4H-1,2,4-triazolium iodide
IUPAC Name	1,4-dimethyl-1,2,4-triazol-4-ium;iodide
Molecular Weight	225.03
Molecular Formula	C4H8IN3
Canonical SMILES	CN1C=[N+](C=N1)C.[I-];
InChI	IMFBMMNQDMTHGG-UHFFFAOYSA-M
InChI Key	InChI=1S/C4H8N3.HI/c1-6-3-5-7(2)4-6;/h3-4H,1-2H3;1H/q+1;/p-1
Melting Point	120-125 °C
Purity	97%
Appearance	Solid
Complexity	64
Covalently-Bonded Unit Count	2
Exact Mass	224.976g/mol
Heavy Atom Count	8
Isomeric SMILES	CN1C=[N+](C=N1)C.[I-]
Monoisotopic Mass	224.976g/mol
Topological Polar Surface Area	21.7A^2