The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Ethyl 5-ethyl-4-hydroxypyrrolo[1,2-f][1,2,4]triazine-6-carboxylate , CAS No.310436-60-3
Basic Description
Synonyms
310436-60-3 | Ethyl 5-ethyl-4-hydroxypyrrolo[1,2-f][1,2,4]triazine-6-carboxylate | ethyl 5-ethyl-4-hydroxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate | Ethyl 5-ethyl-4-oxo-1,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate | MFCD12756029 | ethyl 5-ethyl-4-oxo-3
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolotriazines
Subclass
Pyrrolo[2,1-f][1,2,4]triazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolo[2,1-f][1,2,4]triazines
Alternative Parents
Pyrrole carboxylic acids and derivatives Substituted pyrroles 1,2,4-triazines Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-f][1,2,4]triazine - Pyrrole-3-carboxylic acid or derivatives - 1,2,4-triazine - Triazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
ethyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
INCHI
InChI=1S/C11H13N3O3/c1-3-7-8(11(16)17-4-2)5-14-9(7)10(15)12-6-13-14/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKey
ZCJUMISNPKORHP-UHFFFAOYSA-N
Smiles
CCC1=C2C(=O)NC=NN2C=C1C(=O)OCC
Isomeric SMILES
CCC1=C2C(=O)NC=NN2C=C1C(=O)OCC
Molecular Weight
235.24
Reaxy-Rn
10165748
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10165748&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
235.240 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
235.096 Da
Monoisotopic Mass
235.096 Da
Topological Polar Surface Area
72.700 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
356.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
