Cas no 1234298-93-1 (1,2,3-Triazine-5-carboxylic acid)
1234298-93-1 structure
Product Name:1,2,3-Triazine-5-carboxylic acid
CAS No:1234298-93-1
MF:C4H3N3O2
MW:125.085520029068
CID:1084381
PubChem ID:55303684
Update Time:2025-04-20
1,2,3-Triazine-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Triazine-5-carboxylic acid
- 1,2,3-tri(4-pyridyl)cyclopropene
- ACMC-20mv2m
- AGN-PC-003VZW
- CTK0F4642
- Pyridine, 4,4',4''-(1-cyclopropene-1,2,3-triyl)tris-
- 1234298-93-1
- AKOS006387735
- SCHEMBL14825914
-
- Inchi： 1S/C4H3N3O2/c8-4(9)3-1-5-7-6-2-3/h1-2H,(H,8,9)
- InChI Key： DLMDGLJCWXETIS-UHFFFAOYSA-N
- SMILES： OC(C1C=NN=NC=1)=O
Computed Properties
- Exact Mass: 125.022526347g/mol
- Monoisotopic Mass: 125.022526347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 110
- 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: -1.2
- Topological Polar Surface Area: 76?2
1,2,3-Triazine-5-carboxylic acid Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
1234298-93-1 (1,2,3-Triazine-5-carboxylic acid) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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