7-Amino-4,5-dihydro-5-oxo-pyrazolo[1,5-a]pyrimidine-3-carbonitrile - ≥95% , CAS No.138904-35-5

CAS: 138904-35-5 Cat. No.: A181397 Peso molecular: 175.1

GRADE & PURITY ≥95%

Synonyms

7-amino-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | 7-amino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 7-Amino-5-oxo-1,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 7-amino-4,5-dihyd

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

7-amino-5-oxo-4, 5-dihydropyrazolo[1, 5-a]pyrimidine-3-carbonitrile | 7-amino-5-oxo-4H-pyrazolo[1, 5-a]pyrimidine-3-carbonitrile | 7-Amino-5-oxo-1, 5-dihydropyrazolo[1, 5-a]pyrimidine-3-carbonitrile | Pyrazolo[1, 5-a]pyrimidine-3-carbonitrile, 7-amino-4, 5-dihyd

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=C(N2C(=C(C=N2)C#N)NC1=O)N
• IUPAC Name: 7-amino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• InChIKey: BNFWUAFRRYBCJX-UHFFFAOYSA-N
• INCHI: 1S/C7H5N5O/c8-2-4-3-10-12-5(9)1-6(13)11-7(4)12/h1,3H,9H2,(H,11,13)
• Isómeros SMILES: C1=C(N2C(=C(C=N2)C#N)NC1=O)N
• Peso molecular: 175.1
• Reaxy-Rn: 58723520
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58723520&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Pyrimidones Hydropyrimidines Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Amino acids and derivatives Nitriles Hydrazones Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - Pyrimidone - Pyrimidine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Nitrile - Carbonitrile - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine 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: 175.150 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.049 Da
• Monoisotopic Mass: 175.049 Da
• Topological Polar Surface Area: 96.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 327.000
• 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