5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine - CAS 78706-26-0
Catalog: |
BB062847 |
Product Name: |
5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine |
CAS: |
78706-26-0 |
Synonyms: |
5,7-Dichloro[1,2,4]triazolo[1,5-a]pyrimidine; 5,7-Dichlorotriazolo[1,5-a]pyrimidine |
IUPAC Name: | 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine |
Description: | 5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine is used in the synthesis of triazolopyrimidine inhibitors displaying antimalarial activity. |
Molecular Weight: | 189 |
Molecular Formula: | C5H2Cl2N4 |
Canonical SMILES: | C1=C(N2C(=NC=N2)N=C1Cl)Cl |
InChI: | InChI=1S/C5H2Cl2N4/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-2H |
InChI Key: | LQKFTGMXROMIGG-UHFFFAOYSA-N |
References: | Gujjar, R. et al. J. Med. Chem., 54, 3935 (2011). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.9656515 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.9656515 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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