Cas no 42836-91-9 (5-(3-amino-1,2,4-triazin-5-yl)-1,2,4-triazin-3-amine)
42836-91-9 structure
Product Name:5-(3-amino-1,2,4-triazin-5-yl)-1,2,4-triazin-3-amine
5-(3-amino-1,2,4-triazin-5-yl)-1,2,4-triazin-3-amine Chemical and Physical Properties
Names and Identifiers
-
- 5-(3-amino-1,2,4-triazin-5-yl)-1,2,4-triazin-3-amine
- [5,5']bi[1,2,4]triazinyl-3,3'-diamine
- AC1L70FG
- NSC186768
- DTXSID50307071
- 42836-91-9
- SCHEMBL21126682
- NSC-186768
-
- Inchi： 1S/C6H6N8/c7-5-11-3(1-9-13-5)4-2-10-14-6(8)12-4/h1-2H,(H2,7,11,13)(H2,8,12,14)
- InChI Key： JZXJUSPSGGBLAK-UHFFFAOYSA-N
- SMILES： N1C(N)=NN=CC=1C1C=NN=C(N)N=1
Computed Properties
- Exact Mass: 190.07178
- Monoisotopic Mass: 190.07154223g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 167
- 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: -2.5
- Topological Polar Surface Area: 129?2
Experimental Properties
- PSA: 129.38
- LogP: 0.05040
5-(3-amino-1,2,4-triazin-5-yl)-1,2,4-triazin-3-amine Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Wan Lab Chip, 2020,20, 4528-4538
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