3-Amino-5-bromo-1H-pyrazolo[3,4-b]pyrazine - CAS 1242336-77-1
Catalog: |
BB005841 |
Product Name: |
3-Amino-5-bromo-1H-pyrazolo[3,4-b]pyrazine |
CAS: |
1242336-77-1 |
Synonyms: |
5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine; 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine |
IUPAC Name: | 5-bromo-2H-pyrazolo[3,4-b]pyrazin-3-amine |
Description: | 3-Amino-5-bromo-1H-pyrazolo[3,4-b]pyrazine (CAS# 1242336-77-1) is a useful research chemical. |
Molecular Weight: | 214.02 |
Molecular Formula: | C5H4BrN5 |
Canonical SMILES: | C1=NC2=NNC(=C2N=C1Br)N |
InChI: | InChI=1S/C5H4BrN5/c6-2-1-8-5-3(9-2)4(7)10-11-5/h1H,(H3,7,8,10,11) |
InChI Key: | VDDJIDGFTDEJFJ-UHFFFAOYSA-N |
MDL: | MFCD17016134 |
LogP: | 1.27880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2010303567-A1 | Heterocyclic compounds useful as PDK1 inhibitors | 20091006 |
AU-2010303567-B2 | Heterocyclic compounds useful as PDK1 inhibitors | 20091006 |
AU-2016225896-A1 | Heterocyclic compounds useful as PDK1 inhibitors | 20091006 |
AU-2016225896-B2 | Heterocyclic compounds useful as PDK1 inhibitors | 20091006 |
AU-2016225896-C1 | Heterocyclic compounds useful as PDK1 inhibitors | 20091006 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.96501 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.96501 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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