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115761-34-7 | 5H-Cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol
CAS No: 115761-34-7 Catalog No: AG000GTT MDL No:
Product Description
Catalog Number:
AG000GTT
Chemical Name:
5H-Cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol
CAS Number:
115761-34-7
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
IUPAC Name:
1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,10-tetraen-2-one
InChI:
InChI=1S/C8H6N4O/c13-7-5-2-1-3-6(5)11-8-9-4-10-12(7)8/h1-2,4H,3H2,(H,9,10,11)
InChI Key:
PIMJBAJHQFBTCN-UHFFFAOYSA-N
SMILES:
Oc1c2C=CCc2nc2n1ncn2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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