Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate - CAS 1006326-48-2
Catalog: |
BB047361 |
Product Name: |
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate |
CAS: |
1006326-48-2 |
Synonyms: |
Ethyl3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate |
IUPAC Name: | ethyl 5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylpyrazole-3-carboxylate |
Description: | Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate (CAS# 1006326-48-2 ) is a useful research chemical. |
Molecular Weight: | 306.35 |
Molecular Formula: | C12H14N6O2S |
Canonical SMILES: | CCC1=NN=C2N1N=C(S2)C3=NN(C(=C3)C(=O)OCC)C |
InChI: | InChI=1S/C12H14N6O2S/c1-4-9-13-14-12-18(9)16-10(21-12)7-6-8(17(3)15-7)11(19)20-5-2/h6H,4-5H2,1-3H3 |
InChI Key: | MTXDMPIJYVESSN-UHFFFAOYSA-N |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.08989488 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.08989488 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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