Pymetrozin - analytical standard , CAS No.123312-89-0

CAS: 123312-89-0 Cat. No.: P114483 분자식: C₁₀H₁₁N₅O 분자량: 217.23 Beilstein Registry Number: 7814151 EC 번호: 602-927-1

GRADE & PURITY Analytical standard

Synonyms

Pymetrozin | Pymetrozine [ISO:BSI] | CGA 215944 | Fulfill | PYMETROZINE [MI] | Tox21_300879 | UNII-F0G3V7874J | 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]- | A805042 | DTXCID0012637 | HY-B0821 | C18590 | 6-methyl-4-

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Pymetrozin | Pymetrozine [ISO:BSI] | CGA 215944 | Fulfill | PYMETROZINE [MI] | Tox21_300879 | UNII-F0G3V7874J | 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]- | A805042 | DTXCID0012637 | HY-B0821 | C18590 | 6-methyl-4-

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

Pubchem Sid

528770796

정식 스마일

CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2

IUPAC Name

6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

InChIKey

QHMTXANCGGJZRX-WUXMJOGZSA-N

INCHI

1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+

이성체 SMILES

CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2

WGK 독일

2

RTECS

XZ3018620

분자량

217.23

Beilstein

7814151

Reaxy-Rn

8392466

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8392466&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Triazines
      • Subclass 1,2,4-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Triazines
• Subclass: 1,2,4-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-triazines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-triazine - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,2,4-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4.
• External Descriptors: Pesticides

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)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Bemisia tabaci (599 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cheumatopsyche (45 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): >230 °C
• 발화점(°C): >230°C
• 분자량: 217.230 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.096 Da
• Monoisotopic Mass: 217.096 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 325.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1