1-{4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-3-methyl-1H-1,2,4-triazole - ≥97% , CAS No.676491-46-6

CAS: 676491-46-6 Cat. No.: M177152 Peso molecular: 229.243

GRADE & PURITY ≥97%

Synonyms

MFCD19105151 | SCHEMBL1475279 | 1H-PYRROLO[2,3-C]PYRIDINE,4-METHOXY-7-(3-METHYL-1H-1,2,4-TRIAZOL-1-YL)- | A867221 | BCB49146 | 1-{4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-3-methyl-1H-1,2,4-triazole | J-515654 | AS-72923 | DTXSID70580925 | AKOS025291120 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD19105151 | SCHEMBL1475279 | 1H-PYRROLO[2, 3-C]PYRIDINE, 4-METHOXY-7-(3-METHYL-1H-1, 2, 4-TRIAZOL-1-YL)- | A867221 | BCB49146 | 1-{4-methoxy-1H-pyrrolo[2, 3-c]pyridin-7-yl}-3-methyl-1H-1, 2, 4-triazole | J-515654 | AS-72923 | DTXSID70580925 | AKOS025291120 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3)OC
• IUPAC Name: 4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
• InChIKey: UDEUJLHVKKTHFA-UHFFFAOYSA-N
• INCHI: 1S/C11H11N5O/c1-7-14-6-16(15-7)11-10-8(3-4-12-10)9(17-2)5-13-11/h3-6,12H,1-2H3
• Isómeros SMILES: CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3)OC
• Peso molecular: 229.243
• Reaxy-Rn: 14223888
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14223888&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridyltriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridyltriazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridyl-1,2,4-triazoles
• Alternative Parents: Pyrrolopyridines Alkyl aryl ethers Triazoles Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridyl-1,2,4-triazole - Pyrrolopyridine - Alkyl aryl ether - Azole - Pyrrole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Ether - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 229.240 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.096 Da
• Monoisotopic Mass: 229.096 Da
• Topological Polar Surface Area: 68.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 277.000
• 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