3-bromo-[1,2,4]triazolo[4,3-a]pyrimidine - CAS 1263286-57-2
Catalog: |
BB006569 |
Product Name: |
3-bromo-[1,2,4]triazolo[4,3-a]pyrimidine |
CAS: |
1263286-57-2 |
Synonyms: |
3-bromo-[1,2,4]triazolo[4,3-a]pyrimidine; 3-bromo-[1,2,4]triazolo[4,3-a]pyrimidine |
IUPAC Name: | 3-bromo-[1,2,4]triazolo[4,3-a]pyrimidine |
Description: | 3-bromo-[1,2,4]triazolo[4,3-a]pyrimidine (CAS# 1263286-57-2 ) is a useful research chemical. |
Molecular Weight: | 199.011 |
Molecular Formula: | C5H3BrN4 |
Canonical SMILES: | C1=CN2C(=NN=C2Br)N=C1 |
InChI: | InChI=1S/C5H3BrN4/c6-4-8-9-5-7-2-1-3-10(4)5/h1-3H |
InChI Key: | JKNZEQLPYXQMPQ-UHFFFAOYSA-N |
LogP: | 0.88680 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.95411 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.95411 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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