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Home > Pyridines > 937598-08-8
937598-08-8 | 5-(6-CYCLOPROPYL-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4-METHYL-4H+
CAS No: 937598-08-8 Catalog No: AG01AO6D MDL No:MFCD08553253
Product Description
Catalog Number:
AG01AO6D
Chemical Name:
5-(6-CYCLOPROPYL-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4-METHYL-4H+
CAS Number:
937598-08-8
Molecular Formula:
C14H16N6S
Molecular Weight:
300.3820
MDL Number:
MFCD08553253
IUPAC Name:
3-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H16N6S/c1-7-11-9(12-16-17-14(21)19(12)2)6-10(8-4-5-8)15-13(11)20(3)18-7/h6,8H,4-5H2,1-3H3,(H,17,21)
InChI Key:
PPJSMGLGDHIZPA-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1cc(nc2c1c(C)nn2C)C1CC1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.384g/mol
Monoisotopic Mass:
300.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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