3-etinilimidazo[1,2-b]piridazina - ≥97% , CAS No.943320-61-4

CAS: 943320-61-4 Cat. No.: E178391 Formula: C₈H₅N₃ Peso molecolare: 143.149

GRADE & PURITY ≥97%

Synonyms

3-ethynylimidazo[1,2-b]pyridazin | 3-Ethynylimidazolo(1,2-b)pyridazine | AMY316 | SY097707 | 3-Ethynylimidazo(1,2-b)pyridazine | EN300-246672 | Imidazo[1,2-b]pyridazine,3-ethynyl- | 5YDU6N6N3Z | 3-ETHYNYLIMIDAZOLO[1,2-B]PYRIDAZINE | MFCD17012027 | SCHEMBL

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

3-ethynylimidazo[1,2-b]pyridazin | 3-Ethynylimidazolo(1,2-b)pyridazine | AMY316 | SY097707 | 3-Ethynylimidazo(1,2-b)pyridazine | EN300-246672 | Imidazo[1,2-b]pyridazine,3-ethynyl- | 5YDU6N6N3Z | 3-ETHYNYLIMIDAZOLO[1,2-B]PYRIDAZINE | MFCD17012027 | SCHEMBL

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504770798

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770798

Sorrisi canonici

C#CC1=CN=C2N1N=CC=C2

IUPAC Name

3-ethynylimidazo[1,2-b]pyridazine

InChIKey

VYOHSFQVMLAURO-UHFFFAOYSA-N

INCHI

1S/C8H5N3/c1-2-7-6-9-8-4-3-5-10-11(7)8/h1,3-6H

Isomeri SMILES

C#CC1=CN=C2N1N=CC=C2

Peso molecolare

143.149

Reaxy-Rn

12923333

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12923333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazines and derivatives
• Alternative Parents: N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridazine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms.
• 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.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 143.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 143.048 Da
• Monoisotopic Mass: 143.048 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 193.000
• 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