| CAS Number | 1379323-68-8 |
| Catalog Number | AG00145G(AGN-PC-0WD8C3) |
| Chemical Name | 2-Amino-7-bromoimidazo[2,1-f][1,2,4]triazin-4(1H)-one |
| IUPAC Name | 2-amino-7-bromo-3H-imidazo[2,1-f][1,2,4]triazin-4-one |
| InChI | InChI=1S/C5H4BrN5O/c6-2-1-8-3-4(12)9-5(7)10-11(2)3/h1H,(H3,7,9,10,12) |
| InChI Key | IIIKKFSKRJMHNR-UHFFFAOYSA-N |
| MDL Number | MFCD30471619 |
| Molecular Formula | C5H4BrN5O |
| Molecular Weight | 230.0222 |
| SMILES | O=C1N=C(N)NN2C1=NC=C2Br |
| Synonyms | 1379323-68-8,
2-Amino-7-bromo-1H,4H-imidazo[2,1-f][1,2,4]triazin-4-one,
2-Amino-7-bromoimidazo[2,1-f][1,2,4]triazin-4(1H)-one,
MFCD30471619,
AKOS030628536,
ZINC238597235,
AS-53004,
CS-0052051,
Imidazo[2,1-f][1,2,4]triazin-4(1H)-one, 2-amino-7-bromo-,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.025g/mol |
| Monoisotopic Mass | 228.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number