Cas no 72177-30-1 (1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]-)
72177-30-1 structure
Product Name:1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]-
CAS No:72177-30-1
MF:C13H8N6O6
MW:344.239221572876
CID:565889
PubChem ID:338741
Update Time:2025-04-19
1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]-
- 2-[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine -6-carboxylic acid
- 2-(2-(3,5-Dihydroxy-1,2,4-triazin-6-yl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
- 2-[2-(3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)-phenyl]-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carboxylic acid
- AC1L7OH4
- AG-G-83797
- NCIStruc1_001877
- NCIStruc2_001972
- NSC362639
- 1,2,4-TRIAZINE-6-CARBOXYLIC ACID, 2,3,4,5-TETRAHYDRO-3,5-DIOXO-2-(2-(2,3,4,5-TETRAHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-6-YL)PHENYL)-
- NSC-362639
- 2-[2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
- NCGC00014827-02
- UNII-DYO2ULQ3CL
- DYO2ULQ3CL
- NCGC00014827
- 2-[2-(3,5-dihydroxy-1,2,4-triazin-6-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
- 72177-30-1
- CCG-37044
- NCI60_003313
- CHEMBL1333823
- HMS2886O11
- DTXSID70222510
- NCI362639
- NCGC00097928-01
- NSC 362639
- 2,3,4,5-TETRAHYDRO-3,5-DIOXO-2-(2-(2,3,4,5-TETRAHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-6-YL)PHENYL)-1,2,4-TRIAZINE-6-CARBOXYLIC ACID
- SMR000528988
- MLS000756908
-
- Inchi: 1S/C13H8N6O6/c20-9-7(16-17-12(24)14-9)5-3-1-2-4-6(5)19-13(25)15-10(21)8(18-19)11(22)23/h1-4H,(H,22,23)(H,15,21,25)(H2,14,17,20,24)
- InChI Key: IXKGNNQTJQVGKK-UHFFFAOYSA-N
- SMILES: O=C1NC(C(C(=O)O)=NN1C1=CC=CC=C1C1C(NC(NN=1)=O)=O)=O
Computed Properties
- Exact Mass: 344.05064
- Monoisotopic Mass: 344.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 743
- 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: 0.1
- Topological Polar Surface Area: 170?2
Experimental Properties
- Density: 1.97
- Refractive Index: 1.869
- PSA: 169.63
- LogP: -1.94240
1,2,4-Triazine-6-carboxylicacid,2,3,4,5-tetrahydro-3,5-dioxo-2-[2-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)phenyl]- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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