2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetonitrile
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![2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/db9c8be6150440b9814ff8f2c64f36e2.png "2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetonitrile")
2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetonitrile
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CAS No:
126234-02-4
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Formula:
C13H14N4O
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Chemical Name:
2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetonitrile
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Synonyms:
126234-02-4;ACMC-20mrwc;CHEMBL165842;DTXSID60925462;2-[methyl(oxo)[?]yl]acetonitrile;6-Cyanomethyl-4,5,6,7-tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one;Imidazo[4,5,1-jk][1,4]benzodiazepine-6(7H)-acetonitrile,1,2,4,5-tetrahydro-5-methyl-2-oxo-;Imidazo(4,5,1-jk)(1,4)benzodiazepine-6(7H)-acetonitrile, 1,2,4,5-tetrahydro-5-methyl-2-oxo-;(2-Hydroxy-5-methyl-4,5-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-6(7H)-yl)acetonitrile;4,5,6,7-Tetrahydro-5-methyl-6-cyanomethylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one;(+/-)-6-Cyanomethyl-4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one
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CAS No:
2-(11-methyl-2-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)acetonitrile Basic Attributes
242.28 g/mol
242.11676108 g/mol
Computed Properties
Molecular Weight:242.28
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:242.11676108
Monoisotopic Mass:242.11676108
Topological Polar Surface Area:59.4
Heavy Atom Count:18
Complexity:401
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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