11-[(3-methoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
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![11-[(3-methoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1409fb296b50427593da1436f9869aff.png "11-[(3-methoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one")
11-[(3-methoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
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CAS No:
876715-18-3
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Formula:
C16H17N5O2
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Chemical Name:
11-[(3-methoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
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Synonyms:
2-[(3-methoxybenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one;MLS000552046;CHEMBL1585415;HMS2158F04;HMS3308D06;STK227573;STK576736;ZINC18221932;AKOS000641867;AKOS005501093;ZINC100641643;MCULE-9642610128;SMR000145771;SR-01000153930;SR-01000153930-1;BRD-K44768687-001-08-8;2-(3-Methoxy-benzylamino)-4,5,6,7-tetrahydro-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one;2-[(3-methoxybenzyl)amino]-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol;876715-18-3
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CAS No:
11-[(3-methoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one Basic Attributes
311.34 g/mol
311.13822480 g/mol
Computed Properties
Molecular Weight:311.34
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:311.13822480
Monoisotopic Mass:311.13822480
Topological Polar Surface Area:78.3
Heavy Atom Count:23
Complexity:610
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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