Cas no 5445-11-4 (Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 3-amino-5,7-dimethyl-)
![Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 3-amino-5,7-dimethyl- structure](https://ossimg.kuujia.com/scimg/5500/5445-11-4x500.png)
5445-11-4 structure
Product Name:Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 3-amino-5,7-dimethyl-
CAS No:5445-11-4
MF:C7H8N6O2
MW:208.177419662476
CID:387230
PubChem ID:228827
Update Time:2025-04-19
Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 3-amino-5,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 3-amino-5,7-dimethyl-
- 3-amino-5,7-dimethyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
- 3-amino-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8(5h,7h)-dione
- 3-Aminoisofervenulin
- 7-Amino-1,3-dimethyl-6-azalumazin
- AC1L5GIL
- AC1Q6KEH
- AG-K-80687
- AR-1F1835
- CTK1H5154
- NSC21961
- DTXSID20281556
- NSC-21961
- 5445-11-4
-
- Inchi： 1S/C7H8N6O2/c1-12-4-3(10-11-6(8)9-4)5(14)13(2)7(12)15/h1-2H3,(H2,8,9,11)
- InChI Key： ZLLNZYFNXIIVHL-UHFFFAOYSA-N
- SMILES： O=C1N(C)C(C2C(=NC(N)=NN=2)N1C)=O
Computed Properties
- Exact Mass: 208.07104
- Monoisotopic Mass: 208.07087352g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 308
- 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: -1.6
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 105.31
Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 3-amino-5,7-dimethyl- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
5445-11-4 (Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 3-amino-5,7-dimethyl-) Related Products
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