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1781106-10-2 | 1-ethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS No: 1781106-10-2 Catalog No: AG01BO2L MDL No:MFCD30498633
Product Description
Catalog Number:
AG01BO2L
Chemical Name:
1-ethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS Number:
1781106-10-2
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD30498633
IUPAC Name:
1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C8H13N3O/c1-2-11-7-5-9-4-3-6(7)8(12)10-11/h9H,2-5H2,1H3,(H,10,12)
InChI Key:
MIVPPJXGJKMWTR-UHFFFAOYSA-N
SMILES:
CCn1nc(c2c1CNCC2)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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