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

C3H10N6O6P2 — CID 88814142

IUPACphosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=P(O)(O)P(=O)(O)O
InChIInChI=1S/C3H6N6.H4O6P2/c4-1-7-2(5)9-3(6)8-1;1-7(2,3)8(4,5)6/h(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)
InChIKeySLUPIGLQERIDDX-UHFFFAOYSA-N
MW288.10 g/mol
LogP-2.12
Rot. Bonds1

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

phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 88814142) has the molecular formula C3H10N6O6P2 and a molecular weight of 288.10 g/mol. Its IUPAC name is phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namephosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID88814142
Molecular FormulaC3H10N6O6P2
Molecular Weight288.10 g/mol
Exact Mass288.01
IUPAC Namephosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=P(O)(O)P(=O)(O)O
InChIInChI=1S/C3H6N6.H4O6P2/c4-1-7-2(5)9-3(6)8-1;1-7(2,3)8(4,5)6/h(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)
InChIKeySLUPIGLQERIDDX-UHFFFAOYSA-N
XLogP-2.12
TPSA231.79 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.10
LogP ≤ 5-2.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine (CID 88814142) is phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=P(O)(O)P(=O)(O)O.
What is the InChIKey of phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is SLUPIGLQERIDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.H4O6P2/c4-1-7-2(5)9-3(6)8-1;1-7(2,3)8(4,5)6/h(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6).
What are the key properties of phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine?
phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 288.10 g/mol, XLogP of -2.12, 1 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 88814142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).