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Home > Pyridines > 937598-34-0
937598-34-0 | 4-PROPYL-5-(1,3,6-TRIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4H-1,2,4-TRIA+
CAS No: 937598-34-0 Catalog No: AG01AO6Z MDL No:MFCD08553257
Product Description
Catalog Number:
AG01AO6Z
Chemical Name:
4-PROPYL-5-(1,3,6-TRIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4H-1,2,4-TRIA+
CAS Number:
937598-34-0
Molecular Formula:
C14H18N6S
Molecular Weight:
302.3979
MDL Number:
MFCD08553257
IUPAC Name:
4-propyl-3-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C14H18N6S/c1-5-6-20-12(16-17-14(20)21)10-7-8(2)15-13-11(10)9(3)18-19(13)4/h7H,5-6H2,1-4H3,(H,17,21)
InChI Key:
WYXGJEUAQKLNJB-UHFFFAOYSA-N
SMILES:
CCCn1c(S)nnc1c1cc(C)nc2c1c(C)nn2C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.4g/mol
Monoisotopic Mass:
302.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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