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Home > Pyridines > 937598-30-6
937598-30-6 | 5-(6-CYCLOPROPYL-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4-PROPYL-4H+
CAS No: 937598-30-6 Catalog No: AG01AO6Y MDL No:MFCD08553299
Product Description
Catalog Number:
AG01AO6Y
Chemical Name:
5-(6-CYCLOPROPYL-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4-PROPYL-4H+
CAS Number:
937598-30-6
Molecular Formula:
C16H20N6S
Molecular Weight:
328.4352
MDL Number:
MFCD08553299
IUPAC Name:
3-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-4-propyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C16H20N6S/c1-4-7-22-14(18-19-16(22)23)11-8-12(10-5-6-10)17-15-13(11)9(2)20-21(15)3/h8,10H,4-7H2,1-3H3,(H,19,23)
InChI Key:
OXFAXJATPGJVIU-UHFFFAOYSA-N
SMILES:
CCCn1c(S)nnc1c1cc(nc2c1c(C)nn2C)C1CC1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.438g/mol
Monoisotopic Mass:
328.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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