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259744-47-3 | 5H-[1,2,4]Triazolo[5,1-b]purin-5-one, 1,8-dihydro-
CAS No: 259744-47-3 Catalog No: AG002R8Z MDL No:
Product Description
Catalog Number:
AG002R8Z
Chemical Name:
5H-[1,2,4]Triazolo[5,1-b]purin-5-one, 1,8-dihydro-
CAS Number:
259744-47-3
Molecular Formula:
C6H4N6O
Molecular Weight:
176.1356
IUPAC Name:
4,6-dihydro-[1,2,4]triazolo[5,1-b]purin-5-one
InChI:
InChI=1S/C6H4N6O/c13-5-3-4(8-1-7-3)12-6(11-5)9-2-10-12/h1-2H,(H,7,8)(H,9,10,11,13)
InChI Key:
XKRYBPIKFCZPOV-UHFFFAOYSA-N
SMILES:
O=c1nc2nc[nH]n2c2c1nc[nH]2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.139g/mol
Monoisotopic Mass:
176.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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