3-methyl-1,2,4-triazine-5-carbaldehyde - CAS 94243-22-8
Catalog: |
BB041247 |
Product Name: |
3-methyl-1,2,4-triazine-5-carbaldehyde |
CAS: |
94243-22-8 |
Synonyms: |
3-methyl-1,2,4-triazine-5-carboxaldehyde; 3-methyl-1,2,4-triazine-5-carbaldehyde |
IUPAC Name: | 3-methyl-1,2,4-triazine-5-carbaldehyde |
Description: | 3-methyl-1,2,4-triazine-5-carbaldehyde (CAS# 94243-22-8 ) is a useful research chemical. |
Molecular Weight: | 123.115 |
Molecular Formula: | C5H5N3O |
Canonical SMILES: | CC1=NC(=CN=N1)C=O |
InChI: | InChI=1S/C5H5N3O/c1-4-7-5(3-9)2-6-8-4/h2-3H,1H3 |
InChI Key: | JWTCGXGRZICGSB-UHFFFAOYSA-N |
MDL: | MFCD09832229 |
LogP: | -0.00750 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.043261792 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.043261792 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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