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287177-82-6 | 1H-Pyrazolo[3,4-d]pyrimidin-6-amine
CAS No: 287177-82-6 Catalog No: AG002W8E MDL No:MFCD11559009
Product Description
Catalog Number:
AG002W8E
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-6-amine
CAS Number:
287177-82-6
Molecular Formula:
C5H5N5
Molecular Weight:
135.1267
MDL Number:
MFCD11559009
IUPAC Name:
1H-pyrazolo[3,4-d]pyrimidin-6-amine
InChI:
InChI=1S/C5H5N5/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H3,6,7,8,9,10)
InChI Key:
SMXRCJBCWRHDJE-UHFFFAOYSA-N
SMILES:
N=c1[nH]cc2c(n1)[nH]nc2
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.13g/mol
Monoisotopic Mass:
135.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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