Home Other Building Blocks 7-phenyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-phenyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

CAS No.:
34102-81-3
Catalog Number:
AG01C28L
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
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Product Description
Catalog Number:
AG01C28L
Chemical Name:
7-phenyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CAS Number:
34102-81-3
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
MDL Number:
MFCD24560069
IUPAC Name:
7-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)15-11(14-10)12-7-13-15/h1-7H,(H,12,13,14,16)
InChI Key:
ACUIPZKNCVNUTM-UHFFFAOYSA-N
SMILES:
O=c1cc(c2ccccc2)n2c([nH]1)ncn2
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties