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Home Other Building Blocks 3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one

3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:
54770-19-3
Catalog Number:
AG01E7MT
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E7MT
Chemical Name:
3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
54770-19-3
MDL Number:
MFCD22393451
IUPAC Name:
3,4-dimethyl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C4H7N3O/c1-3-5-6-4(8)7(3)2/h1-2H3,(H,6,8)
InChI Key:
BVNFZLFQKJYVDJ-UHFFFAOYSA-N
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.059g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
113.12g/mol
Monoisotopic Mass:
113.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Discovery of triazolinone non-nucleoside inhibitors of HIV reverse transcriptase. Bioorganic & medicinal chemistry letters 20080801
Properties