3-Amino-1H-pyrazolo[3,4-b]pyrazine - CAS 81411-64-5
Catalog: |
BB036650 |
Product Name: |
3-Amino-1H-pyrazolo[3,4-b]pyrazine |
CAS: |
81411-64-5 |
Synonyms: |
2H-pyrazolo[3,4-b]pyrazin-3-amine; 2H-pyrazolo[3,4-b]pyrazin-3-amine |
IUPAC Name: | 2H-pyrazolo[3,4-b]pyrazin-3-amine |
Description: | 3-Amino-1H-pyrazolo[3,4-b]pyrazine (CAS# 81411-64-5) is a useful research chemical compound. |
Molecular Weight: | 135.13 |
Molecular Formula: | C5H5N5 |
Canonical SMILES: | C1=NC2=C(NN=C2N=C1)N |
InChI: | InChI=1S/C5H5N5/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H3,6,8,9,10) |
InChI Key: | FPPZCGSFUJKIER-UHFFFAOYSA-N |
Density: | 1.612 g/cm3 |
MDL: | MFCD09909663 |
LogP: | 0.51630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021176049-A1 | Pyrazolopyrazines acting on cancers via inhibition of cdk12 | 20200306 |
WO-2017133657-A1 | Pyridine and pyrimidine derivatives and their use in treatment, amelioration or prevention of influenza | 20160205 |
AU-2014345771-A1 | (aza)pyridopyrazolopyrimidinones and indazolopyrimidinones as inhibitors of fibrinolysis | 20131105 |
CA-2929378-A1 | (aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use | 20131105 |
CN-105683194-B | The inhibitor of (azepine) pyrido PyrazolopyrimidinonecGMP and indazole hepyramine as fibrinolysis | 20131105 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.05449518 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.05449518 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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