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NSC158906,37805-72-4, 7-methyl-1H-imidazo[4,5-e]triazin-4-one,Canonica

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摘 要:NSC158906,37805-72-4, 7-methyl-1H-imidazo[4,5-e]triazin-4-one,Canonical SMILES: CN1C=NC2=C1NN=NC2=O,InChI: InChI=1/C5H5N5O/c1-10-2-6-3-4(10)7-9-8-5(3)11/h2H,1H3,(H,7,8,11)/f/h7H,Molecular Weight151.1261 [g/mol]Molecular FormulaC5H5N5OXLogP0.2H-Bond D
[Synonyms]
NSC158906
37805-72-4

[Structure]
NSC158906,37805-72-4, 7-methyl-1H-imidazo[4,5-e]triazin-4-one,Canonica

[ Properties Computed from Structure]
Molecular Weight151.1261 [g/mol]
Molecular FormulaC5H5N5O
XLogP0.2
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count0
Tautomer Count3
Exact Mass151.04941
MonoIsotopic Mass151.04941
Topological Polar Surface Area71.6
Heavy Atom Count11
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 7-methyl-1H-imidazo[4,5-e]triazin-4-one
Canonical SMILES: CN1C=NC2=C1NN=NC2=O
InChI: InChI=1/C5H5N5O/c1-10-2-6-3-4(10)7-9-8-5(3)11/h2H,1H3,(H,7,8,11)/f/h7H

 
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