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89239-59-8 | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1-ethyl-1,4-dihydro-3,5-dimethyl-
CAS No: 89239-59-8 Catalog No: AG00432W MDL No:
Product Description
Catalog Number:
AG00432W
Chemical Name:
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1-ethyl-1,4-dihydro-3,5-dimethyl-
CAS Number:
89239-59-8
Molecular Formula:
C9H12N4O
Molecular Weight:
192.2178
IUPAC Name:
1-ethyl-3,5-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C9H12N4O/c1-4-13-8-7(5(2)12-13)10-6(3)11-9(8)14/h4H2,1-3H3,(H,10,11,14)
InChI Key:
KBICTPPJSYFIAZ-UHFFFAOYSA-N
SMILES:
CCn1nc(c2c1c(=O)nc([nH]2)C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.222g/mol
Monoisotopic Mass:
192.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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