| CAS Number | 1378862-01-1 |
| Catalog Number | AG009YSW |
| Chemical Name | [1,2,4triazolo[4,3-apyridine-3,6-diamine |
| IUPAC Name | 6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine |
| InChI | InChI=1S/C6H5BrN4/c7-4-1-2-5-9-10-6(8)11(5)3-4/h1-3H,(H2,8,10) |
| InChI Key | DWJVWLDIPJSPKM-UHFFFAOYSA-N |
| MDL Number | MFCD11847686 |
| Molecular Formula | C6H5BrN4 |
| Molecular Weight | 213.0347 |
| SMILES | Nc1n2c(nn1)ccc(c2)Br |
| Synonyms | 1378862-01-1,
6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-amine,
3-Amino-6-bromo-[1,2,4]triazolo[4,3-a]pyridine,
SCHEMBL17681367,
ZINC84199299,
AKOS017562012,
SC-33675,
[1,2,4triazolo[4,3-apyridine-3,6-diamine,
Z2234631199,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.038g/mol |
| Monoisotopic Mass | 211.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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