3-methyl-1H-pyrazolo[3,4-b]pyrazine - CAS 1131041-58-1
Catalog: |
BB003100 |
Product Name: |
3-methyl-1H-pyrazolo[3,4-b]pyrazine |
CAS: |
1131041-58-1 |
Synonyms: |
3-methyl-2H-pyrazolo[3,4-b]pyrazine; 3-methyl-2H-pyrazolo[3,4-b]pyrazine |
IUPAC Name: | 3-methyl-2H-pyrazolo[3,4-b]pyrazine |
Description: | 3-methyl-1H-pyrazolo[3,4-b]pyrazine (CAS# 1131041-58-1) is a useful research chemical. |
Molecular Weight: | 134.142 |
Molecular Formula: | C6H6N4 |
Canonical SMILES: | CC1=C2C(=NN1)N=CC=N2 |
InChI: | InChI=1S/C6H6N4/c1-4-5-6(10-9-4)8-3-2-7-5/h2-3H,1H3,(H,8,9,10) |
InChI Key: | QIXKPYPWMQXIGY-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 0.66130 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021126995-A1 | Methods and compositions for treating cancer | 20191220 |
WO-2021110890-A1 | Pyridinium derivatives as herbicides | 20191206 |
WO-2020264420-A1 | Heterocyclic kinase inhibitors and products and uses thereof | 20190628 |
US-2017202970-A1 | Silicon based drug conjugates and methods of using same | 20150512 |
US-2018148418-A1 | Amido-substituted cyclohexane derivatives | 20150505 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.059246208 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.059246208 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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