| CAS Number | 1016839-90-9 |
| Catalog Number | AG01AAO6 |
| Chemical Name | 2-Methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline |
| IUPAC Name | 2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline |
| InChI | InChI=1S/C13H12N4/c1-9-8-10(5-6-11(9)14)13-16-15-12-4-2-3-7-17(12)13/h2-8H,14H2,1H3 |
| InChI Key | WTOVBGFEPYHXQZ-UHFFFAOYSA-N |
| MDL Number | MFCD09944785 |
| Molecular Formula | C13H12N4 |
| Molecular Weight | 224.2612 |
| SMILES | CC1=C(N)C=CC(C2N3C(C=CC=C3)=NN=2)=C1 |
| Synonyms | 2-methyl-4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}aniline,
1016839-90-9,
AC1Q2FKF,
ZINC19505100,
AKOS000191701,
MCULE-3383892044,
NE61144,
EN300-69129,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.267g/mol |
| Monoisotopic Mass | 224.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number