Praxadine , CAS No.4023-00-1

CAS: 4023-00-1 Cat. No.: P668706 분자식: C₄H₆N₄ 분자량: 110.12 PubChem CID: 2734673

Synonyms

1H-pyrazole-1-carboximidamide | Praxadine | Pyrazole-1-carboxamidine | pyrazole-1-carboximidamide | 1H-Pyrazole-1-carboxamidine | 12L58GX4AS | Praxadine [INN:DCF] | NCGC00165996-01 | UNII-12L58GX4AS | SR-01000945145 | 1-amidinopyrazole | PRAXADINE [INN] |

Storage

Room temperature

Specifications

동의어

1H-pyrazole-1-carboximidamide | Praxadine | Pyrazole-1-carboxamidine | pyrazole-1-carboximidamide | 1H-Pyrazole-1-carboxamidine | 12L58GX4AS | Praxadine [INN:DCF] | NCGC00165996-01 | UNII-12L58GX4AS | SR-01000945145 | 1-amidinopyrazole | PRAXADINE [INN] |

보관 조건

Room temperature

제품 특성

• ALogP: -0.4

이름과 식별자

• 정식 스마일: C1=CN(N=C1)C(=N)N
• IUPAC Name: pyrazole-1-carboximidamide
• InChIKey: UCQFSGCWHRTMGG-UHFFFAOYSA-N
• INCHI: 1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
• 이성체 SMILES: C1=CN(N=C1)C(=N)N
• PubChem CID: 2734673
• 분자량: 110.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three 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

관련 대상(인간)

NOS1 Tchem Nitric oxide synthase, brain (1 Activities)

Discover Target: NOS1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 분자량: 110.120 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.059 Da
• Monoisotopic Mass: 110.059 Da
• Topological Polar Surface Area: 67.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 100.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4023-00-1, the molecular formula is C4H6N4, and the molecular weight is 110.12 g/mol. InChIKey UCQFSGCWHRTMGG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.