| CAS Number | 857371-43-8 |
| Catalog Number | AG01A6KW(AGN-PC-0WOTLW) |
| Chemical Name | dimethyl-4H-1,2,4-triazol-3-amine hydroiodide |
| IUPAC Name | 4,5-dimethyl-1,2,4-triazol-3-amine;hydroiodide |
| InChI | InChI=1S/C4H8N4.HI/c1-3-6-7-4(5)8(3)2;/h1-2H3,(H2,5,7);1H |
| InChI Key | KBJBDLUBHGBNJN-UHFFFAOYSA-N |
| MDL Number | MFCD25970340 |
| Molecular Formula | C4H9IN4 |
| Molecular Weight | 240.0455 |
| SMILES | CC1=NN=C(N1C)N.I |
| Synonyms | dimethyl-4H-1,2,4-triazol-3-amine hydroiodide,
857371-43-8,
SCHEMBL5300522,
AKOS026743231,
MCULE-6111251776,
NE17184,
Z1688198430,
|
| Complexity | 84.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.048g/mol |
| Monoisotopic Mass | 239.987g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number