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1260656-84-5 | 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-3-(hydroxymethyl)-1-methyl-
CAS No: 1260656-84-5 Catalog No: AG000QZ1 MDL No:MFCD11109908
Product Description
Catalog Number:
AG000QZ1
Chemical Name:
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-3-(hydroxymethyl)-1-methyl-
CAS Number:
1260656-84-5
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
MDL Number:
MFCD11109908
IUPAC Name:
3-(hydroxymethyl)-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C7H8N4O2/c1-11-6-5(4(2-12)10-11)7(13)9-3-8-6/h3,12H,2H2,1H3,(H,8,9,13)
InChI Key:
WVBOGVTUZWACBM-UHFFFAOYSA-N
SMILES:
OCc1nn(c2c1c(=O)[nH]cn2)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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