RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200394
RefMet name	Metamitron
Systematic name	4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one
Synonyms	PubChem Synonyms
Exact mass	202.085461 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H10N4O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	67728 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	VHCNQEUWZYOAEV-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	Cc1nnc(c2ccccc2)c(=O)n1N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Triazines
Sub Class	1,2,4-triazines
Distribution of Metamitron in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Metamitron
External Links
Pubchem CID	38854
ChEBI ID	6791
KEGG ID	C10930
HMDB ID	HMDB0254501
EPA CompTox	DTXCID5027568
Spectral data for Metamitron standards
MassBank(EU)	View MS spectra