200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114562-87-7
114562-87-7 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 114562-87-7 Catalog No: AG000EP9 MDL No:
Product Description
Catalog Number:
AG000EP9
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
114562-87-7
Molecular Formula:
C15H18N4O
Molecular Weight:
270.3296
IUPAC Name:
1-(1-adamantyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C15H18N4O/c20-14-12-7-18-19(13(12)16-8-17-14)15-4-9-1-10(5-15)3-11(2-9)6-15/h7-11H,1-6H2,(H,16,17,20)
InChI Key:
JJRCQCMVYWUOBQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1cnn2C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.336g/mol
Monoisotopic Mass:
270.148g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.