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

C3H15N7O8P2 — CID 173308958

IUPACazane;phosphoric acid;1,3,5-triazine-2,4,6-triamine
SMILESN.Nc1nc(N)nc(N)n1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C3H6N6.H3N.2H3O4P/c4-1-7-2(5)9-3(6)8-1;;2*1-5(2,3)4/h(H6,4,5,6,7,8,9);1H3;2*(H3,1,2,3,4)
InChIKeyPUQDBVDJQWGPIO-UHFFFAOYSA-N
MW339.14 g/mol
LogP-3.08
Rot. Bonds

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

azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 173308958) has the molecular formula C3H15N7O8P2 and a molecular weight of 339.14 g/mol. Its IUPAC name is azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameazane;phosphoric acid;1,3,5-triazine-2,4,6-triamine
PubChem CID173308958
Molecular FormulaC3H15N7O8P2
Molecular Weight339.14 g/mol
Exact Mass339.05
IUPAC Nameazane;phosphoric acid;1,3,5-triazine-2,4,6-triamine
SMILESN.Nc1nc(N)nc(N)n1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C3H6N6.H3N.2H3O4P/c4-1-7-2(5)9-3(6)8-1;;2*1-5(2,3)4/h(H6,4,5,6,7,8,9);1H3;2*(H3,1,2,3,4)
InChIKeyPUQDBVDJQWGPIO-UHFFFAOYSA-N
XLogP-3.08
TPSA307.25 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.14
LogP ≤ 5-3.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173089859
phosphoric acid;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 163472059
phosphonophosphonic acid;1,3,5-triazine-2,4,6-triamine
CID 88814142
zinc;hydrogen phosphate;1,3,5-triazine-2,4,6-triamine;dihydrate
CID 175145340
tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
CID 173004298
azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea
CID 173347097
azane;carbonic acid;1,3,5-triazine-2,4,6-triamine
CID 174964625
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;diphosphono hydrogen phosphate;hexakis(1,3,5-triazine-2,4,6-triamine)
CID 157061719
1,3,5-triazine-2,4,6-triamine
CID 22011128
1,3,5-triazine-2,4,6-triamine
CID 67592325

Frequently Asked Questions

What is the IUPAC name of azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine (CID 173308958) is azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine is N.Nc1nc(N)nc(N)n1.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is PUQDBVDJQWGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.H3N.2H3O4P/c4-1-7-2(5)9-3(6)8-1;;2*1-5(2,3)4/h(H6,4,5,6,7,8,9);1H3;2*(H3,1,2,3,4).
What are the key properties of azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 339.14 g/mol, XLogP of -3.08, 0 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphoric acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 173308958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).