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Home > Pyridines > 937598-22-6
937598-22-6 | 4-BUTYL-5-(1,3,6-TRIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4H-1,2,4-TRIAZ+
CAS No: 937598-22-6 Catalog No: AG01AO6W MDL No:MFCD08553249
Product Description
Catalog Number:
AG01AO6W
Chemical Name:
4-BUTYL-5-(1,3,6-TRIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4H-1,2,4-TRIAZ+
CAS Number:
937598-22-6
Molecular Formula:
C15H20N6S
Molecular Weight:
316.4245
MDL Number:
MFCD08553249
IUPAC Name:
4-butyl-3-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H20N6S/c1-5-6-7-21-13(17-18-15(21)22)11-8-9(2)16-14-12(11)10(3)19-20(14)4/h8H,5-7H2,1-4H3,(H,18,22)
InChI Key:
SJZGDDNVSQWUHC-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nnc1c1cc(C)nc2c1c(C)nn2C
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.427g/mol
Monoisotopic Mass:
316.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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