200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1018163-52-4
1018163-52-4 | 2-BUTYL-3,4-DIMETHYL-2,7-DIHYDRO-6H-PYRAZOLO[3,4-B]PYRIDIN-6-ONE
CAS No: 1018163-52-4 Catalog No: AG01AOE8 MDL No:MFCD09834176
Product Description
Catalog Number:
AG01AOE8
Chemical Name:
2-BUTYL-3,4-DIMETHYL-2,7-DIHYDRO-6H-PYRAZOLO[3,4-B]PYRIDIN-6-ONE
CAS Number:
1018163-52-4
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD09834176
IUPAC Name:
2-butyl-3,4-dimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C12H17N3O/c1-4-5-6-15-9(3)11-8(2)7-10(16)13-12(11)14-15/h7H,4-6H2,1-3H3,(H,13,14,16)
InChI Key:
ZTKOSKLZIZEHOK-UHFFFAOYSA-N
SMILES:
CCCCn1nc2c(c1C)c(C)cc(=O)[nH]2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.