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

C5H22N9O4P — CID 173089859

IUPACazane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
SMILESC=C.N.N.N.Nc1nc(N)nc(N)n1.O=P(O)(O)O
InChIInChI=1S/C3H6N6.C2H4.3H3N.H3O4P/c4-1-7-2(5)9-3(6)8-1;1-2;;;;1-5(2,3)4/h(H6,4,5,6,7,8,9);1-2H2;3*1H3;(H3,1,2,3,4)
InChIKeyMZAYCNLPXQJHHB-UHFFFAOYSA-N
MW303.26 g/mol
LogP-1.02
Rot. Bonds

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

azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 173089859) has the molecular formula C5H22N9O4P and a molecular weight of 303.26 g/mol. Its IUPAC name is azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameazane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
PubChem CID173089859
Molecular FormulaC5H22N9O4P
Molecular Weight303.26 g/mol
Exact Mass303.15
IUPAC Nameazane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
SMILESC=C.N.N.N.Nc1nc(N)nc(N)n1.O=P(O)(O)O
InChIInChI=1S/C3H6N6.C2H4.3H3N.H3O4P/c4-1-7-2(5)9-3(6)8-1;1-2;;;;1-5(2,3)4/h(H6,4,5,6,7,8,9);1-2H2;3*1H3;(H3,1,2,3,4)
InChIKeyMZAYCNLPXQJHHB-UHFFFAOYSA-N
XLogP-1.02
TPSA299.49 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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
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;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
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 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493

Frequently Asked Questions

What is the IUPAC name of azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine (CID 173089859) is azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine is C=C.N.N.N.Nc1nc(N)nc(N)n1.O=P(O)(O)O.
What is the InChIKey of azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is MZAYCNLPXQJHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4.3H3N.H3O4P/c4-1-7-2(5)9-3(6)8-1;1-2;;;;1-5(2,3)4/h(H6,4,5,6,7,8,9);1-2H2;3*1H3;(H3,1,2,3,4).
What are the key properties of azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine?
azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 303.26 g/mol, XLogP of -1.02, 0 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 173089859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).