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116527-66-3 | Ethanol, 2-(1H-pyrazolo[3,4-b]pyrazin-5-ylamino)-
CAS No: 116527-66-3 Catalog No: AG000CPR MDL No:MFCD18833292
Product Description
Catalog Number:
AG000CPR
Chemical Name:
Ethanol, 2-(1H-pyrazolo[3,4-b]pyrazin-5-ylamino)-
CAS Number:
116527-66-3
Molecular Formula:
C7H9N5O
Molecular Weight:
179.1793
MDL Number:
MFCD18833292
IUPAC Name:
2-(1H-pyrazolo[3,4-b]pyrazin-5-ylamino)ethanol
InChI:
InChI=1S/C7H9N5O/c13-2-1-8-6-4-9-7-5(11-6)3-10-12-7/h3-4,13H,1-2H2,(H,8,11)(H,9,10,12)
InChI Key:
DFQAKFQVJKGMMA-UHFFFAOYSA-N
SMILES:
OCCNc1cnc2c(n1)cn[nH]2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.183g/mol
Monoisotopic Mass:
179.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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