zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate

C3H11N6O6PZn — CID 175145340

IUPACzinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate
SMILESNc1nc(N)nc(N)n1.O.O.O=P([O-])([O-])O.[Zn+2]
InChIInChI=1S/C3H6N6.H3O4P.2H2O.Zn/c4-1-7-2(5)9-3(6)8-1;1-5(2,3)4;;;/h(H6,4,5,6,7,8,9);(H3,1,2,3,4);2*1H2;/q;;;;+2/p-2
InChIKeyVAJGFUIPOFTNQX-UHFFFAOYSA-L
MW323.52 g/mol
LogP-5.23
Rot. Bonds

About zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate

zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate (PubChem CID 175145340) has the molecular formula C3H11N6O6PZn and a molecular weight of 323.52 g/mol. Its IUPAC name is zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate.

Molecular Properties

Compound Namezinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate
PubChem CID175145340
Molecular FormulaC3H11N6O6PZn
Molecular Weight323.52 g/mol
Exact Mass321.98
IUPAC Namezinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate
SMILESNc1nc(N)nc(N)n1.O.O.O=P([O-])([O-])O.[Zn+2]
InChIInChI=1S/C3H6N6.H3O4P.2H2O.Zn/c4-1-7-2(5)9-3(6)8-1;1-5(2,3)4;;;/h(H6,4,5,6,7,8,9);(H3,1,2,3,4);2*1H2;/q;;;;+2/p-2
InChIKeyVAJGFUIPOFTNQX-UHFFFAOYSA-L
XLogP-5.23
TPSA263.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 5-5.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydrogen phosphate;bis(1,3,5-triazin-1-ium-2,4,6-triamine);trihydrate
CID 139078102
phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine
CID 88814142
azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173308958
phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 163472059
tetrakis(dihydrogen phosphate);hydrogen phosphate;hexakis(1,3,5-triazin-1-ium-2,4,6-triamine);tetrahydrate
CID 139058638
[hydroxy(oxido)phosphoryl] phosphate;1,3,5-triazine-2,4,6-triamine
CID 162367976
azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173089859
zinc;hydrogen phosphate;silicic acid;hydrate
CID 175401017
tetraazanium;phosphonato phosphate;bis(1,3,5-triazine-2,4,6-triamine)
CID 158414252
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
CID 173004298
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;diphosphono hydrogen phosphate;hexakis(1,3,5-triazine-2,4,6-triamine)
CID 157061719

Frequently Asked Questions

What is the IUPAC name of zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate?
The IUPAC name of zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate (CID 175145340) is zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate.
What is the SMILES notation for zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate?
The canonical SMILES for zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate is Nc1nc(N)nc(N)n1.O.O.O=P([O-])([O-])O.[Zn+2].
What is the InChIKey of zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate?
The InChIKey is VAJGFUIPOFTNQX-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6N6.H3O4P.2H2O.Zn/c4-1-7-2(5)9-3(6)8-1;1-5(2,3)4;;;/h(H6,4,5,6,7,8,9);(H3,1,2,3,4);2*1H2;/q;;;;+2/p-2.
What are the key properties of zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate?
zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate has a molecular weight of 323.52 g/mol, XLogP of -5.23, 0 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate is sourced from PubChem (CID 175145340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).