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87595-27-5 | 1H-Pyrazolo[3,4-b]pyrazine, 1-phenyl-5-[(tetrahydro-2-furanyl)methoxy]-
CAS No: 87595-27-5 Catalog No: AG004IKF MDL No:
Product Description
Catalog Number:
AG004IKF
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazine, 1-phenyl-5-[(tetrahydro-2-furanyl)methoxy]-
CAS Number:
87595-27-5
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
IUPAC Name:
5-(oxolan-2-ylmethoxy)-1-phenylpyrazolo[3,4-b]pyrazine
InChI:
InChI=1S/C16H16N4O2/c1-2-5-12(6-3-1)20-16-14(9-18-20)19-15(10-17-16)22-11-13-7-4-8-21-13/h1-3,5-6,9-10,13H,4,7-8,11H2
InChI Key:
BBNLDLMFLWJZOK-UHFFFAOYSA-N
SMILES:
C1COC(C1)COc1cnc2c(n1)cnn2c1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.33g/mol
Monoisotopic Mass:
296.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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