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89239-17-8 | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,7a-dihydro-1,3-dimethyl-
CAS No: 89239-17-8 Catalog No: AG0043A5 MDL No:
Product Description
Catalog Number:
AG0043A5
Chemical Name:
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,7a-dihydro-1,3-dimethyl-
CAS Number:
89239-17-8
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
1,3-dimethyl-7aH-pyrazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C7H8N4O/c1-4-5-6(11(2)10-4)7(12)9-3-8-5/h3,6H,1-2H3
InChI Key:
SPIVBXVULDHEQN-UHFFFAOYSA-N
SMILES:
CN1N=C(C2=NC=NC(=O)C12)C
Properties
Complexity:
328
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:
0
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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