hydron;phosphonatoformamide;trimethylazanium

C4H13N2O4P — CID 21391373

IUPAChydron;phosphonatoformamide;trimethylazanium
SMILESC[NH+](C)C.NC(=O)P(=O)([O-])[O-].[H+]
InChIInChI=1S/C3H9N.CH4NO4P/c1-4(2)3;2-1(3)7(4,5)6/h1-3H3;(H2,2,3)(H2,4,5,6)
InChIKeyIYRFCIGFHPRKAO-UHFFFAOYSA-N
MW184.13 g/mol
LogP-3.15
Rot. Bonds1

About hydron;phosphonatoformamide;trimethylazanium

hydron;phosphonatoformamide;trimethylazanium (PubChem CID 21391373) has the molecular formula C4H13N2O4P and a molecular weight of 184.13 g/mol. Its IUPAC name is hydron;phosphonatoformamide;trimethylazanium.

Molecular Properties

Compound Namehydron;phosphonatoformamide;trimethylazanium
PubChem CID21391373
Molecular FormulaC4H13N2O4P
Molecular Weight184.13 g/mol
Exact Mass184.06
IUPAC Namehydron;phosphonatoformamide;trimethylazanium
SMILESC[NH+](C)C.NC(=O)P(=O)([O-])[O-].[H+]
InChIInChI=1S/C3H9N.CH4NO4P/c1-4(2)3;2-1(3)7(4,5)6/h1-3H3;(H2,2,3)(H2,4,5,6)
InChIKeyIYRFCIGFHPRKAO-UHFFFAOYSA-N
XLogP-3.15
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-3.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;phosphonatoformamide
CID 141369742
hydron;2-hydroxyethylazanium;phosphonatoformamide
CID 21391394
azane;carbamoyl(hydroxy)phosphinate;hydron
CID 173454240
[amino(methyl)phosphoryl]formamide
CID 163796895
[chloro(methyl)phosphoryl]formamide
CID 175452290
hydron;phosphate
CID 19972274
trimagnesium;guanidine;diphosphate
CID 161111260
hydroxylamine;tris(zirconium(4+));tetraphosphate
CID 174979397
azane;dihydrogen phosphate;hydron
CID 172995707
amino(methyl)phosphinate
CID 18377257
trimagnesium;prop-2-enamide;diphosphate
CID 175566813
copper;carbamate;thiophosphate
CID 157426335

Frequently Asked Questions

What is the IUPAC name of hydron;phosphonatoformamide;trimethylazanium?
The IUPAC name of hydron;phosphonatoformamide;trimethylazanium (CID 21391373) is hydron;phosphonatoformamide;trimethylazanium.
What is the SMILES notation for hydron;phosphonatoformamide;trimethylazanium?
The canonical SMILES for hydron;phosphonatoformamide;trimethylazanium is C[NH+](C)C.NC(=O)P(=O)([O-])[O-].[H+].
What is the InChIKey of hydron;phosphonatoformamide;trimethylazanium?
The InChIKey is IYRFCIGFHPRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH4NO4P/c1-4(2)3;2-1(3)7(4,5)6/h1-3H3;(H2,2,3)(H2,4,5,6).
What are the key properties of hydron;phosphonatoformamide;trimethylazanium?
hydron;phosphonatoformamide;trimethylazanium has a molecular weight of 184.13 g/mol, XLogP of -3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;phosphonatoformamide;trimethylazanium is sourced from PubChem (CID 21391373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).