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746671-37-4 | 6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CAS No: 746671-37-4 Catalog No: AG01FLBF MDL No:
Product Description
Catalog Number:
AG01FLBF
Chemical Name:
6-tert-butyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CAS Number:
746671-37-4
IUPAC Name:
6-tert-butyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
InChI:
InChI=1S/C10H13N3O/c1-10(2,3)7-4-8-9(14)11-6-12-13(8)5-7/h4-6H,1-3H3,(H,11,12,14)
InChI Key:
ZCYAFLDENQTBMF-UHFFFAOYSA-N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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