| CAS Number | 1083223-99-7 |
| Catalog Number | AG01C9FI |
| Chemical Name | 1,4-dimethyl-1H-1,2,3-triazole-5-carbaldehyde |
| IUPAC Name | 3,5-dimethyltriazole-4-carbaldehyde |
| InChI | InChI=1S/C5H7N3O/c1-4-5(3-9)8(2)7-6-4/h3H,1-2H3 |
| InChI Key | MWPMSUQTEIZTST-UHFFFAOYSA-N |
| MDL Number | MFCD10700258 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CC1=C(C=O)N(C)N=N1 |
| Synonyms | 1,4-dimethyl-1H-1,2,3-triazole-5-carbaldehyde,
1083223-99-7,
AKOS006302538,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.131g/mol |
| Monoisotopic Mass | 125.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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