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s-Triazolo[4,3-a] Pyridine,7-methyl-
ScientificNameLabel
s-Triazolo[4,3-a] Pyridine,7-methyl-
PHCD compound ID :
4574
Chemical Names :
s-Triazolo[4,3-a] Pyridine,7-methyl-
Molecular Formula :
C7H7N3
Molecular Weight :
133.063997
More Details :
Names & Synonyms:
7-methyl-[1,2,4]triazolo[4,3-a]pyridine
Smiles:
Cc1ccn2c(c1)nnc2
InChi :
InChI=1S/C7H7N3/c1-6-2-3-10-5-8-9-7(10)4-6/h2-5H,1H3
InChi Key :
InChIKey=NSKBIOGKGMWUQC-UHFFFAOYSA-N
PubChem ID :
250847
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
9.279498
Hydrogen bond donor count :
0
Electric dipole moment :
7.123
XLogP :
2.158
VDW volume :
105.55988
Molecular weight :
133.063997
HOMO-LUMO gap :
8.325000
Herb list :
Wild garlic - Allium hirtifolium - موسیر
Refrences & Litretures:
703. Journal:'BioMed Research International' Year:'2013' Volume:'2013' Page:'1' DOI:'10.1155/2013/696835' Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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