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101861-10-3 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-ethyl-1,5-dihydro-
CAS No: 101861-10-3 Catalog No: AG0005RG MDL No:
Product Description
Catalog Number:
AG0005RG
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 6-ethyl-1,5-dihydro-
CAS Number:
101861-10-3
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
6-ethyl-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C7H8N4O/c1-2-5-9-6-4(3-8-11-6)7(12)10-5/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChI Key:
GECPKVWDUUIBPL-UHFFFAOYSA-N
SMILES:
CCc1[nH]c(=O)c2c(n1)[nH]nc2
Properties
Complexity:
238
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:
2
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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