Home Other Building Blocks 1-ethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

1-ethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS No.:
89852-92-6
Catalog Number:
AG01E94W
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01E94W
Chemical Name:
1-ethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CAS Number:
89852-92-6
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
MDL Number:
MFCD14620003
IUPAC Name:
1-ethyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C7H8N4O/c1-2-11-6-5(3-10-11)7(12)9-4-8-6/h3-4H,2H2,1H3,(H,8,9,12)
InChI Key:
DKVJRZYMFJNVOD-UHFFFAOYSA-N
SMILES:
CCn1ncc2c1nc[nH]c2=O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties