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89779-36-2 | 1H-Pyrazolo[3,4-b]pyrazine-5-carbonitrile,2,3,6,7-tetrahydro-3,6-dioxo-
CAS No: 89779-36-2 Catalog No: AG0040HZ MDL No:
Product Description
Catalog Number:
AG0040HZ
Chemical Name:
1H-Pyrazolo[3,4-b]pyrazine-5-carbonitrile,2,3,6,7-tetrahydro-3,6-dioxo-
CAS Number:
89779-36-2
Molecular Formula:
C6H3N5O2
Molecular Weight:
177.1203
IUPAC Name:
3,6-dioxo-2,7-dihydro-1H-pyrazolo[3,4-b]pyrazine-5-carbonitrile
InChI:
InChI=1S/C6H3N5O2/c7-1-2-5(12)9-4-3(8-2)6(13)11-10-4/h(H3,9,10,11,12,13)
InChI Key:
LYKAESSPQRMMJG-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(=O)[nH][nH]c2[nH]c1=O
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.123g/mol
Monoisotopic Mass:
177.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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