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

5-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

CAS No.:
299918-83-5
Catalog Number:
AG01BFXX
Molecular Formula:
C6H3F3N4O
Molecular Weight:
204.1094
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Product Description
Catalog Number:
AG01BFXX
Chemical Name:
5-(trifluoromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CAS Number:
299918-83-5
Molecular Formula:
C6H3F3N4O
Molecular Weight:
204.1094
MDL Number:
MFCD01926137
IUPAC Name:
5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C6H3F3N4O/c7-6(8,9)3-1-4(14)13-5(12-3)10-2-11-13/h1-2H,(H,10,11,12)
InChI Key:
QHTMBKSOMNTQJU-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c2n1ncn2)C(F)(F)F
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.112g/mol
Monoisotopic Mass:
204.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties