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Home > Pyridines > 937598-37-3
937598-37-3 | 4-(2-METHOXYETHYL)-5-(1,3,6-TRIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4H-+
CAS No: 937598-37-3 Catalog No: AG01AO70 MDL No:MFCD08553266
Product Description
Catalog Number:
AG01AO70
Chemical Name:
4-(2-METHOXYETHYL)-5-(1,3,6-TRIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4H-+
CAS Number:
937598-37-3
Molecular Formula:
C14H18N6OS
Molecular Weight:
318.3973
MDL Number:
MFCD08553266
IUPAC Name:
4-(2-methoxyethyl)-3-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H18N6OS/c1-8-7-10(11-9(2)18-19(3)13(11)15-8)12-16-17-14(22)20(12)5-6-21-4/h7H,5-6H2,1-4H3,(H,17,22)
InChI Key:
FUWABJFFPQRXEU-UHFFFAOYSA-N
SMILES:
COCCn1c(S)nnc1c1cc(C)nc2c1c(C)nn2C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.399g/mol
Monoisotopic Mass:
318.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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