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2060044-11-1 | 1-ethyl-4-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS No: 2060044-11-1 Catalog No: AG01BO2I MDL No:MFCD30498630
Product Description
Catalog Number:
AG01BO2I
Chemical Name:
1-ethyl-4-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol
CAS Number:
2060044-11-1
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
MDL Number:
MFCD30498630
IUPAC Name:
1-ethyl-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C9H15N3O/c1-3-12-7-5-10-4-6(2)8(7)9(13)11-12/h6,10H,3-5H2,1-2H3,(H,11,13)
InChI Key:
MQVKAHJMBPJNLB-UHFFFAOYSA-N
SMILES:
CCn1nc(c2c1CNCC2C)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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