4-chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine - CAS 1248709-15-0
Catalog: |
BB006008 |
Product Name: |
4-chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine |
CAS: |
1248709-15-0 |
Synonyms: |
4-chloro-1-ethylpyrazolo[3,4-d]pyrimidine; 4-chloro-1-ethylpyrazolo[3,4-d]pyrimidine |
IUPAC Name: | 4-chloro-1-ethylpyrazolo[3,4-d]pyrimidine |
Description: | 4-chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine (CAS# 1248709-15-0 ) is a useful research chemical. |
Molecular Weight: | 182.611 |
Molecular Formula: | C7H7ClN4 |
Canonical SMILES: | CCN1C2=C(C=N1)C(=NC=N2)Cl |
InChI: | InChI=1S/C7H7ClN4/c1-2-12-7-5(3-11-12)6(8)9-4-10-7/h3-4H,2H2,1H3 |
InChI Key: | PKYBLHLCAXANOJ-UHFFFAOYSA-N |
LogP: | 1.49960 |
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 |
CN-112826821-A | Application of allopurinol derivative in preparation of medicine for preventing and/or treating diabetes | 20210223 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0359239 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0359239 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Pyrazolo[n,m-d]Pyrimidine
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