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116293-85-7 | [1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-phenyl-2-(phenylmethyl)-
CAS No: 116293-85-7 Catalog No: AG000C4L MDL No:
Product Description
Catalog Number:
AG000C4L
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-phenyl-2-(phenylmethyl)-
CAS Number:
116293-85-7
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
2-benzyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C18H14N4O/c23-17-12-15(14-9-5-2-6-10-14)19-18-20-16(21-22(17)18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,20,21)
InChI Key:
JCSWJRPKGNJAPV-UHFFFAOYSA-N
SMILES:
Oc1cc(nc2n1nc(n2)Cc1ccccc1)c1ccccc1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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