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157224-99-2 | Isoxazolo[3,4-b]pyrazine-5-carbonitrile, 3,6-diamino-
CAS No: 157224-99-2 Catalog No: AG001PAP MDL No:MFCD15144421
Product Description
Catalog Number:
AG001PAP
Chemical Name:
Isoxazolo[3,4-b]pyrazine-5-carbonitrile, 3,6-diamino-
CAS Number:
157224-99-2
Molecular Formula:
C6H4N6O
Molecular Weight:
176.1356
MDL Number:
MFCD15144421
IUPAC Name:
3,6-diamino-[1,2]oxazolo[3,4-b]pyrazine-5-carbonitrile
InChI:
InChI=1S/C6H4N6O/c7-1-2-4(8)11-6-3(10-2)5(9)13-12-6/h9H2,(H2,8,11,12)
InChI Key:
CSQAYYLBFCVGOK-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(nc1N)noc2N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.139g/mol
Monoisotopic Mass:
176.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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