| CAS Number | 1016520-74-3 |
| Catalog Number | AG019MQT(AGN-PC-0WO5EO) |
| Chemical Name | 5-(6-methylpyridin-2-yl)-4H-1,2,4-triazol-3-amine |
| IUPAC Name | 5-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C8H9N5/c1-5-3-2-4-6(10-5)7-11-8(9)13-12-7/h2-4H,1H3,(H3,9,11,12,13) |
| InChI Key | IPWZWBDTLMLQND-UHFFFAOYSA-N |
| MDL Number | MFCD09811080 |
| Molecular Formula | C8H9N5 |
| Molecular Weight | 175.1906 |
| SMILES | CC1=NC(C2NC(N)=NN=2)=CC=C1 |
| Synonyms | 5-(6-methylpyridin-2-yl)-4H-1,2,4-triazol-3-amine,
1016520-74-3,
AC1Q2OQC,
CTK6C1707,
ZINC19397639,
AKOS000163569,
MCULE-7987695626,
NE23346,
EN300-36995,
AB00999556-01,
Z381357618,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.195g/mol |
| Monoisotopic Mass | 175.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number