| CAS Number | 1803603-86-2 |
| Catalog Number | AG01B9EN |
| Chemical Name | 4-Cyclopropyl-4H-1,2,4-triazol-3-amine hydroiodide |
| IUPAC Name | 4-cyclopropyl-1,2,4-triazol-3-amine;hydroiodide |
| InChI | InChI=1S/C5H8N4.HI/c6-5-8-7-3-9(5)4-1-2-4;/h3-4H,1-2H2,(H2,6,8);1H |
| InChI Key | TVPMCYDMNGHZRF-UHFFFAOYSA-N |
| MDL Number | MFCD28383838 |
| Molecular Formula | C5H9IN4 |
| Molecular Weight | 252.0562 |
| SMILES | I.NC1N(C2CC2)C=NN=1 |
| Synonyms | 4-cyclopropyl-4H-1,2,4-triazol-3-amine hydroiodide,
1803603-86-2,
Z2027049514,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.059g/mol |
| Monoisotopic Mass | 251.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number