[1,2,4]Triazolo[1,5-a]pyridin-7-ol - ≥95% , CAS No.1033810-70-6

CAS: 1033810-70-6 Cat. No.: T586212 Molecular Weight: 135.12 EC Number: 861-041-5 PubChem CID: 66937011

GRADE & PURITY ≥95%

Synonyms

SB21234 | A896476 | SCHEMBL1192186 | AS-61710 | [1,2,4]-triazolo[1,5-a]pyridin-7-ol | [1,2,4]triazolo[1,5-a]pyridin-7-ol | MFCD22394734 | AKOS023556544 | 3H-[1,2,4]triazolo[1,5-a]pyridin-7-one | SY056792 | EN300-1592193 | DZFUIMCPDRBQHY-UHFFFAOYSA-N | 103

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

SB21234 | A896476 | SCHEMBL1192186 | AS-61710 | [1, 2, 4]-triazolo[1, 5-a]pyridin-7-ol | [1, 2, 4]triazolo[1, 5-a]pyridin-7-ol | MFCD22394734 | AKOS023556544 | 3H-[1, 2, 4]triazolo[1, 5-a]pyridin-7-one | SY056792 | EN300-1592193 | DZFUIMCPDRBQHY-UHFFFAOYSA-N | 103

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CN2C(=CC1=O)N=CN2
• IUPAC Name: 3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
• InChIKey: BABOSZMRHSQJCE-UHFFFAOYSA-N
• INCHI: 1S/C6H5N3O/c10-5-1-2-9-6(3-5)7-4-8-9/h1-4H,(H,7,8)
• Isomeric SMILES: C1=CN2C(=CC1=O)N=CN2
• PubChem CID: 66937011
• Molecular Weight: 135.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Pyridines and derivatives Vinylogous amides Triazoles Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyridine - Pyridine - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Azole - Cyclic ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Molecular Weight: 135.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.043 Da
• Monoisotopic Mass: 135.043 Da
• Topological Polar Surface Area: 44.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 264.000
• 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