4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3, and canonical SMILES descriptor[cheminf_000007]: CC1Nc2ccccc2-n2c1nnn2, and by the IUPAC name[cheminf_000107]: 4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline.

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-8207

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations

本条目描述的是与分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。

该分子[CHEBI_25367]可通过以下结构描述符[cheminf_000085]进行表征：
国际化学标识符（InChI）描述符[cheminf_000113]：InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3；规范简化分子输入线系统（canonical SMILES）描述符[cheminf_000007]：CC1Nc2ccccc2-n2c1nnn2；以及国际纯粹与应用化学联合会（IUPAC）命名[cheminf_000107]：4-甲基-4,5-二氢四唑并[1,5-a]喹喔啉。

该物理化学实体[CHEBI_24431]包含组分溶剂[CHEBI_46787]，其可通过规范简化分子输入线系统（canonical SMILES）描述符[cheminf_000007]表征：

该物理化学实体[CHEBI_24431]在研究数据存储库chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本编号为：CRS-8207。

该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]进行表征：
熔点描述符[CHEMINF_000256]：
沸点描述符[CHEMINF_000257]：
折射率描述符[CHEMINF_000253]：

该物理化学实体[CHEBI_24431]还可通过以下检测分析[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0000593 | 氢核磁共振波谱（1H NMR）

该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院（KIT）的分子档案库，对应的样本编号为：

所用本体包括：
CHEBI：生物感兴趣化学实体（Chemical Entities of Biological Interest）
CHEMINF：化学信息本体（针对化学实体的信息实体）
CHMO：化学方法本体（Chemical Methods Ontology）
OBI：生物调查本体（Ontology for Biomedical Investigations）