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115547-92-7 | Pyrido[2,3-b]pyrazin-2(1H)-one, 3-amino-8-hydroxy-
CAS No: 115547-92-7 Catalog No: AG000G4E MDL No:
Product Description
Catalog Number:
AG000G4E
Chemical Name:
Pyrido[2,3-b]pyrazin-2(1H)-one, 3-amino-8-hydroxy-
CAS Number:
115547-92-7
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
IUPAC Name:
3-amino-1,5-dihydropyrido[2,3-b]pyrazine-2,8-dione
InChI:
InChI=1S/C7H6N4O2/c8-5-7(13)10-4-3(12)1-2-9-6(4)11-5/h1-2H,(H,10,13)(H3,8,9,11,12)
InChI Key:
DOKYKFXYYTZEGW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(O)ccnc2nc1N
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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