Cas no 61958-80-3 (1,2,4-Triazine-3,5(2H,4H)-dione, 2-[(4-benzoylphenyl)methyl]-)
![1,2,4-Triazine-3,5(2H,4H)-dione, 2-[(4-benzoylphenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/62000/61958-80-3x500.png)
61958-80-3 structure
Product Name:1,2,4-Triazine-3,5(2H,4H)-dione, 2-[(4-benzoylphenyl)methyl]-
CAS No:61958-80-3
MF:C17H13N3O3
MW:307.303423643112
CID:462404
PubChem ID:71391008
Update Time:2025-04-19
1,2,4-Triazine-3,5(2H,4H)-dione, 2-[(4-benzoylphenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazine-3,5(2H,4H)-dione, 2-[(4-benzoylphenyl)methyl]-
- 2-[(4-benzoylphenyl)methyl]-1,2,4-triazine-3,5-dione
- 61958-80-3
- 2-[(4-Benzoylphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dione
- DTXSID70812899
-
- Inchi： 1S/C17H13N3O3/c21-15-10-18-20(17(23)19-15)11-12-6-8-14(9-7-12)16(22)13-4-2-1-3-5-13/h1-10H,11H2,(H,19,21,23)
- InChI Key： URIWNJKLICQGJN-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1C=CC(=CC=1)CN1C(NC(C=N1)=O)=O
Computed Properties
- Exact Mass: 307.09579
- Monoisotopic Mass: 307.09569129g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 503
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 78.8?2
Experimental Properties
- PSA: 78.84
1,2,4-Triazine-3,5(2H,4H)-dione, 2-[(4-benzoylphenyl)methyl]- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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