Home Carboxys 4-imino-1-methyl-1H,4H,7H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

4-imino-1-methyl-1H,4H,7H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS No.:
1332370-62-3
Catalog Number:
AG01A5B2
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
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Product Description
Catalog Number:
AG01A5B2
Chemical Name:
4-imino-1-methyl-1H,4H,7H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS Number:
1332370-62-3
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
MDL Number:
MFCD28155383
IUPAC Name:
4-amino-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H8N4O2/c1-12-7-4(3-11-12)6(9)5(2-10-7)8(13)14/h2-3H,1H3,(H2,9,10)(H,13,14)
InChI Key:
ROSIGSWGXSQRNV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c(c1=N)cnn2C
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.065g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.178g/mol
Monoisotopic Mass:
192.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties