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157224-96-9 | 1H-Pyrazolo[3,4-b]pyrazine-5-carbonitrile, 3,6-diamino-
CAS No: 157224-96-9 Catalog No: AG001PAQ MDL No:
Product Description
Catalog Number:
AG001PAQ
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazine-5-carbonitrile, 3,6-diamino-
CAS Number:
157224-96-9
Molecular Formula:
C6H5N7
Molecular Weight:
175.1508
IUPAC Name:
3,6-diamino-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile
InChI:
InChI=1S/C6H5N7/c7-1-2-4(8)11-6-3(10-2)5(9)12-13-6/h(H5,8,9,11,12,13)
InChI Key:
KCISKWOMKMQPPC-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(N)n[nH]c2nc1N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.155g/mol
Monoisotopic Mass:
175.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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