1-Methyl-1H-1,2,4-triazole

ScientificNameLabel

1-Methyl-1H-1,2,4-triazole
PHCD compound ID :	4117
Chemical Names :	1-Methyl-1H-1,2,4-triazole
Molecular Formula :	C3H5N3
Molecular Weight :	83.048347

More Details :

Names & Synonyms:	1-methyl-1,2,4-triazole
Smiles:	Cn1cncn1
InChi :	InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3
InChi Key :	InChIKey=MWZDIEIXRBWPLG-UHFFFAOYSA-N
PubChem ID :	22459

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.272543
Hydrogen bond donor count :	0	Electric dipole moment :	4.082
XLogP :	-0.26	VDW volume :	64.905317
Molecular weight :	83.048347	HOMO-LUMO gap :	10.469000

Herb list :

Ziziphora - Ziziphora tenuior - کاکوتی

Refrences & Litretures:


575. Journal:'J. Chin. Chem. Soc' Year:'2013' Volume:'60' Page:'649' DOI:'10.1002/jccs.201300133' Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'

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