11-methyl-10-(3-methylpent-2-en-4-ynyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
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![11-methyl-10-(3-methylpent-2-en-4-ynyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bad51688857b4b529a2734b4eb8b814e.png "11-methyl-10-(3-methylpent-2-en-4-ynyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one")
11-methyl-10-(3-methylpent-2-en-4-ynyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
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CAS No:
131515-02-1
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Formula:
C17H19N3O
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Chemical Name:
11-methyl-10-(3-methylpent-2-en-4-ynyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
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Synonyms:
6(3Me-2-Penten-4-yn)TIBO-2-one;131515-02-1;CHEMBL2110184;DTXSID10927239;Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(3-Methyl-2-penten-4-yn-1-yl);methyl(3-methylpent-2-en-4-ynyl)[?]one;5-Methyl-6-(3-methylpent-2-en-4-yn-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepin-2-ol;Imidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(3-Methyl-2-penten-4-yn-1-yl)
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CAS No:
11-methyl-10-(3-methylpent-2-en-4-ynyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one Basic Attributes
281.35 g/mol
281.152812238 g/mol
Computed Properties
Molecular Weight:281.35
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:281.152812238
Monoisotopic Mass:281.152812238
Topological Polar Surface Area:35.6
Heavy Atom Count:21
Complexity:503
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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