Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51432
Common Name:	6-chloro-1,3,5-triazine-2,4-diamine
Systematic Name:	6-chloro-1,3,5-triazine-2,4-diamine
Synonyms:	2,4-diamino-6-chloro-1,3,5-triazine; 2,4-diamino-6-chloro-s-triazine; 2-chloro-4,6-diamino-s-triazine; 2-chloro-4,6-diaminotriazine [PubChem Synonyms]
Exact Mass:	145.0155 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C3H4ClN5
InChIKey:	FVFVNNKYKYZTJU-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Triazines [C0000098]
ClassyFire subclass:	Aminotriazines [C0001693]
ClassyFire direct parent:	1,3,5-triazine-2,4-diamines [C0004734]
MoNA MS spectra:	View MS spectra
SMILES:	c1(Cl)nc(N)nc(N)n1
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	18831
CHEBI ID:	27726
HMDB ID:	HMDB0246174
MetaCyc ID:	CPD-9356
Plant Metabolite Hub(Pmhub):	MS000008726

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y