| CAS Number | 1909312-94-2 |
| Catalog Number | AG01B2D4 |
| Chemical Name | [5-(oxolan-2-yl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride |
| IUPAC Name | [3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C7H12N4O.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h5H,1-4,8H2,(H,9,10,11);1H |
| InChI Key | FCPSDGVCKPJAAT-UHFFFAOYSA-N |
| MDL Number | MFCD29907393 |
| Molecular Formula | C7H13ClN4O |
| Molecular Weight | 204.6573 |
| SMILES | Cl.NCC1NC(C2OCCC2)=NN=1 |
| Synonyms | [5-(oxolan-2-yl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride,
1909312-94-2,
Z2489418729,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.658g/mol |
| Monoisotopic Mass | 204.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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