| CAS Number | 1512663-84-1 |
| Catalog Number | AG01A4K6 |
| Chemical Name | 5-Methyl-1H-1,2,3-triazole-4-carbaldehyde |
| IUPAC Name | 5-methyl-2H-triazole-4-carbaldehyde |
| InChI | InChI=1S/C4H5N3O/c1-3-4(2-8)6-7-5-3/h2H,1H3,(H,5,6,7) |
| InChI Key | JFSBTWPIEZSDPR-UHFFFAOYSA-N |
| MDL Number | MFCD26516139 |
| Molecular Formula | C4H5N3O |
| Molecular Weight | 111.1020 |
| SMILES | CC1=C(N=NN1)C=O |
| Synonyms | 5-Methyl-1H-1,2,3-triazole-4-carbaldehyde,
1512663-84-1,
SCHEMBL3666436,
SCHEMBL12801843,
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.104g/mol |
| Monoisotopic Mass | 111.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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