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1780-79-6 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-6-(trifluoromethyl)-
CAS No: 1780-79-6 Catalog No: AG0025PH MDL No:MFCD24391336
Product Description
Catalog Number:
AG0025PH
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-6-(trifluoromethyl)-
CAS Number:
1780-79-6
Molecular Formula:
C6H3F3N4O
Molecular Weight:
204.1094
MDL Number:
MFCD24391336
IUPAC Name:
6-(trifluoromethyl)-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C6H3F3N4O/c7-6(8,9)5-11-3-2(1-10-13-3)4(14)12-5/h1H,(H2,10,11,12,13,14)
InChI Key:
SPMUOCNXSSGFQZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1cn[nH]2)C(F)(F)F
NSC Number:
53128
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.112g/mol
Monoisotopic Mass:
204.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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