4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol - CAS 937598-28-2
Catalog: |
BB048935 |
Product Name: |
4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
CAS: |
937598-28-2 |
Synonyms: |
4H-1,2,4-triazole-3-thiol, 4-butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-; 4-butyl-5-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-triazole-3-thiol; 4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
IUPAC Name: | 4-butyl-3-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1H-1,2,4-triazole-5-thione |
Description: | 4-Butyl-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol (CAS# 937598-28-2 ) is a useful research chemical. |
Molecular Weight: | 342.46 |
Molecular Formula: | C17H22N6S |
Canonical SMILES: | CCCCN1C(=NNC1=S)C2=CC(=NC3=C2C(=NN3C)C)C4CC4 |
InChI: | InChI=1S/C17H22N6S/c1-4-5-8-23-15(19-20-17(23)24)12-9-13(11-6-7-11)18-16-14(12)10(2)21-22(16)3/h9,11H,4-8H2,1-3H3,(H,20,24) |
InChI Key: | MXKYIAUSMVWXKV-UHFFFAOYSA-N |
Boiling Point: | 572.4±60.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 533 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 342.1626659 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 342.1626659 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 90.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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