amino-(dicyanoamino)phosphinic acid

C2H3N4O2P — CID 87606572

IUPACamino-(dicyanoamino)phosphinic acid
SMILESN#CN(C#N)P(N)(=O)O
InChIInChI=1S/C2H3N4O2P/c3-1-6(2-4)9(5,7)8/h(H3,5,7,8)
InChIKeyXJBWNJWZXZXTHU-UHFFFAOYSA-N
MW146.05 g/mol
LogP-0.69
Rot. Bonds1

About amino-(dicyanoamino)phosphinic acid

amino-(dicyanoamino)phosphinic acid (PubChem CID 87606572) has the molecular formula C2H3N4O2P and a molecular weight of 146.05 g/mol. Its IUPAC name is amino-(dicyanoamino)phosphinic acid.

Molecular Properties

Compound Nameamino-(dicyanoamino)phosphinic acid
PubChem CID87606572
Molecular FormulaC2H3N4O2P
Molecular Weight146.05 g/mol
Exact Mass146.00
IUPAC Nameamino-(dicyanoamino)phosphinic acid
SMILESN#CN(C#N)P(N)(=O)O
InChIInChI=1S/C2H3N4O2P/c3-1-6(2-4)9(5,7)8/h(H3,5,7,8)
InChIKeyXJBWNJWZXZXTHU-UHFFFAOYSA-N
XLogP-0.69
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.05
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

amino(dimethylamino)phosphinic acid
CID 14226794
aminophosphonic acid;rhenium
CID 174387588
CID 162132831
CID 162132831
cyanamide;phosphoric acid;urea
CID 175480992
cyanophosphonic acid;silane
CID 175522157
aminomethylphosphonic acid;hydrate
CID 172785575
phosphoric acid;hydrate
CID 22023151
phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;octahydrate
CID 173160172
aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
CID 90199354
amino-hydroxy-oxophosphanium;aminophosphonic acid
CID 161400916

Frequently Asked Questions

What is the IUPAC name of amino-(dicyanoamino)phosphinic acid?
The IUPAC name of amino-(dicyanoamino)phosphinic acid (CID 87606572) is amino-(dicyanoamino)phosphinic acid.
What is the SMILES notation for amino-(dicyanoamino)phosphinic acid?
The canonical SMILES for amino-(dicyanoamino)phosphinic acid is N#CN(C#N)P(N)(=O)O.
What is the InChIKey of amino-(dicyanoamino)phosphinic acid?
The InChIKey is XJBWNJWZXZXTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N4O2P/c3-1-6(2-4)9(5,7)8/h(H3,5,7,8).
What are the key properties of amino-(dicyanoamino)phosphinic acid?
amino-(dicyanoamino)phosphinic acid has a molecular weight of 146.05 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(dicyanoamino)phosphinic acid is sourced from PubChem (CID 87606572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).