| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-27 16:18:30 UTC |
|---|
| Updated at | 2021-01-04 20:37:43 UTC |
|---|
| CannabisDB ID | CDB005417 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | 1,3,5-Trimethylpyrazole |
|---|
| Description | 1,3,5- trimethylpyrazole, C6H10N2, is an aromatic heterocyclic that belongs to the class of organic compounds known as pyrazoles. Pyrazoles 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. 1,3,5-Trimethylpyrazole is a trimethylated derivative of pyrazole. 1,3,5- trimethylpyrazole is a strong basic compound. 1,3,5-Trimethylpyrazole is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
|---|
| Structure | |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C6H10N2 |
|---|
| Average Molecular Weight | 110.16 |
|---|
| Monoisotopic Molecular Weight | 110.0844 |
|---|
| IUPAC Name | 1,3,5-trimethyl-1H-pyrazole |
|---|
| Traditional Name | 1H-pyrazole, 1,3,5-trimethyl- |
|---|
| CAS Registry Number | 1072-91-9 |
|---|
| SMILES | CN1N=C(C)C=C1C |
|---|
| InChI Identifier | InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3 |
|---|
| InChI Key | HNOQAFMOBRWDKQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Classification | Not classified |
|---|
| Ontology |
|---|
|
| Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
