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87611-98-1 | 1H-Pyrazolo[3,4-b]pyrazin-5-amine, N-methyl-N,1-diphenyl-
CAS No: 87611-98-1 Catalog No: AG004LQU MDL No:
Product Description
Catalog Number:
AG004LQU
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazin-5-amine, N-methyl-N,1-diphenyl-
CAS Number:
87611-98-1
Molecular Formula:
C18H15N5
Molecular Weight:
301.3452
IUPAC Name:
N-methyl-N,1-diphenylpyrazolo[3,4-b]pyrazin-5-amine
InChI:
InChI=1S/C18H15N5/c1-22(14-8-4-2-5-9-14)17-13-19-18-16(21-17)12-20-23(18)15-10-6-3-7-11-15/h2-13H,1H3
InChI Key:
AWEYLOHYJGTCAK-UHFFFAOYSA-N
SMILES:
CN(c1cnc2c(n1)cnn2c1ccccc1)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.353g/mol
Monoisotopic Mass:
301.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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