| CAS Number | 1320267-01-3 |
| Catalog Number | AG01BV8T(AGN-PC-0WCTXV) |
| Chemical Name | 3-tert-butyl-1-iodoimidazo[1,5-a]pyrazin-8-amine |
| IUPAC Name | 3-tert-butyl-1-iodoimidazo[1,5-a]pyrazin-8-amine |
| InChI | InChI=1S/C10H13IN4/c1-10(2,3)9-14-7(11)6-8(12)13-4-5-15(6)9/h4-5H,1-3H3,(H2,12,13) |
| InChI Key | HRFSFNTVWAKTSW-UHFFFAOYSA-N |
| MDL Number | MFCD20489128 |
| Molecular Formula | C10H13IN4 |
| Molecular Weight | 316.1415 |
| SMILES | Ic1nc(n2c1c(N)ncc2)C(C)(C)C |
| Synonyms | 1320267-01-3,
3-(tert-butyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine,
3-tert-butyl-1-iodoimidazo[1,5-a]pyrazin-8-amine,
SCHEMBL12436063,
ZINC89195595,
AKOS027423935,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.146g/mol |
| Monoisotopic Mass | 316.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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