Home
News
Search
Basic
Structure
Physicochemical properties
Topological properties
Services
Virtual Screening
Docking
Chemoinformatics
Training
Help
Data Description
Version History
FAQ
Your Comments
Data Submission
Statistics
Compound: 5546
Plants: 312
References: 992
Visitors: 35
About
About PHCD
The Team
Sponsors
Publications
Citing
Contact Us
Sign in >
2,3,5-Trimethylpyrazine
ScientificNameLabel
2,3,5-Trimethylpyrazine
PHCD compound ID :
3937
Chemical Names :
2,3,5-Trimethylpyrazine
Molecular Formula :
C7H10N2
Molecular Weight :
122.084398
More Details :
Names & Synonyms:
2,3,5-trimethylpyrazine
Smiles:
Cc1cnc(c(n1)C)C
InChi :
InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
InChi Key :
InChIKey=IAEGWXHKWJGQAZ-UHFFFAOYSA-N
PubChem ID :
26808
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.579428
Hydrogen bond donor count :
0
Electric dipole moment :
0.854
XLogP :
0.014
VDW volume :
120.456037
Molecular weight :
122.084398
HOMO-LUMO gap :
9.253000
Herb list :
Red pepper - Capsicum annuum - فلفل قرمز
Refrences & Litretures:
542. Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech' Year:'2015' Volume:'320' Page:'95' DOI:'' Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us