oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine

C5H11N6O8P — CID 70518908

IUPACoxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H6N6.C2H2O4.H3O4P/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;1-5(2,3)4/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);(H3,1,2,3,4)
InChIKeyVIZILEYQSHHGEP-UHFFFAOYSA-N
MW314.15 g/mol
LogP-3.15
Rot. Bonds

About oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine

oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 70518908) has the molecular formula C5H11N6O8P and a molecular weight of 314.15 g/mol. Its IUPAC name is oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameoxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine
PubChem CID70518908
Molecular FormulaC5H11N6O8P
Molecular Weight314.15 g/mol
Exact Mass314.04
IUPAC Nameoxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H6N6.C2H2O4.H3O4P/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;1-5(2,3)4/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);(H3,1,2,3,4)
InChIKeyVIZILEYQSHHGEP-UHFFFAOYSA-N
XLogP-3.15
TPSA269.09 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.15
LogP ≤ 5-3.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4,6-triamine, ethanedioate (1:1)
CID 13685622
Dihydroxy(dioxo)molybdenum;oxalic acid;1,3,5-triazine-2,4,6-triamine
CID 88823188
Copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine
CID 155143679
Oxalic acid;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 155619027
Copper(1+);2-hydroxy-2-oxoacetate;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 173887749
Cobalt;oxalic acid;1,3,5-triazine-2,4,6-triamine
CID 174973471

Frequently Asked Questions

What is the IUPAC name of oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine (CID 70518908) is oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=P(O)(O)O.
What is the InChIKey of oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is VIZILEYQSHHGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O4.H3O4P/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;1-5(2,3)4/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);(H3,1,2,3,4).
What are the key properties of oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 314.15 g/mol, XLogP of -3.15, 0 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;phosphoric acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70518908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).