| CAS Number | 1354951-13-5 |
| Catalog Number | AG009YT0 |
| Chemical Name | 3-Methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile |
| IUPAC Name | 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile |
| InChI | InChI=1S/C8H6N4/c1-6-10-11-8-3-2-7(4-9)5-12(6)8/h2-3,5H,1H3 |
| InChI Key | VOCXSTHAYOMUPZ-UHFFFAOYSA-N |
| MDL Number | MFCD20501913 |
| Molecular Formula | C8H6N4 |
| Molecular Weight | 158.1600 |
| SMILES | CC1N2C(C=CC(=C2)C#N)=NN=1 |
| Synonyms | 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile,
1354951-13-5,
SCHEMBL12510213,
ZINC71790259,
AKOS024015393,
MCULE-3770223868,
NE17365,
EN300-84927,
3-methyl-[1,2,4triazolo[4,3-apyridine-6-carbonitrile,
Z1269638424,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.164g/mol |
| Monoisotopic Mass | 158.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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