Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one


Chemical Name: Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CAS Number: 159326-71-3
Product Number: AG00AD14(AGN-PC-0N3ELU)
Synonyms:
MDL No: MFCD12923560
Molecular Formula: C6H5N3O
Molecular Weight: 135.1234

Identification/Properties


Computed Properties
Molecular Weight:
135.126g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
135.043g/mol
Monoisotopic Mass:
135.043g/mol
Topological Polar Surface Area:
46.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
189
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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