6-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine - CAS 1005631-72-0
Catalog: |
BB049386 |
Product Name: |
6-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
CAS: |
1005631-72-0 |
Synonyms: |
6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
IUPAC Name: | 6-(1-ethyl-3-methylpyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
Description: | 6-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS# 1005631-72-0 ) is a useful research chemical. |
Molecular Weight: | 248.31 |
Molecular Formula: | C10H12N6S |
Canonical SMILES: | CCN1C=C(C(=N1)C)C2=NN3C=NN=C3SC2 |
InChI: | InChI=1S/C10H12N6S/c1-3-15-4-8(7(2)13-15)9-5-17-10-12-11-6-16(10)14-9/h4,6H,3,5H2,1-2H3 |
InChI Key: | WDLQTMDOKHIMOB-UHFFFAOYSA-N |
Boiling Point: | 467.2±47.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.08441558 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.08441558 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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