| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:49:53 UTC |
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| Updated at | 2021-01-04 18:49:11 UTC |
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| CannabisDB ID | CDB005729 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3,5,7-Trimethyl-1,6-naphthyridine |
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| Description | 3,5,7-Trimethyl-1,6-naphthyridine or 3,5,7-trimethyl-1,6-diazanaphthalene is a trimethylated derivative of 1,6-naphthyridine. It belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. 3,5,7-trimethyl-1,6-naphthyridine is one of several structural isomers of trimethylnaphthyridine wherein three methyl groups are substituted at different positions of naphthyridine. Trimethylnaphthyridines are found in cannabis smoke. 3,5,7-Trimethyl-1,6-naphthyridine is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C11H12N2 |
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| Average Molecular Weight | 172.23 |
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| Monoisotopic Molecular Weight | 172.1 |
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| IUPAC Name | 3,5,7-trimethyl-1,6-naphthyridine |
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| Traditional Name | 3,5,7-trimethyl-1,6-naphthyridine |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=CC2=C(C)N=C(C)C=C2N=C1 |
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| InChI Identifier | InChI=1S/C11H12N2/c1-7-4-10-9(3)13-8(2)5-11(10)12-6-7/h4-6H,1-3H3 |
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| InChI Key | PMWLKVFAHRPRED-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazanaphthalenes |
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| Sub Class | Naphthyridines |
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| Direct Parent | Naphthyridines |
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| Alternative Parents | |
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| Substituents | - Naphthyridine
- Methylpyridine
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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