diethoxyphosphorylformonitrile;methanediimine;hydrochloride

C6H13ClN3O3P — CID 155345866

IUPACdiethoxyphosphorylformonitrile;methanediimine;hydrochloride
SMILESCCOP(=O)(C#N)OCC.Cl.N=C=N
InChIInChI=1S/C5H10NO3P.CH2N2.ClH/c1-3-8-10(7,5-6)9-4-2;2-1-3;/h3-4H2,1-2H3;2-3H;1H
InChIKeyZGSAAISQYCEFJF-UHFFFAOYSA-N
MW241.61 g/mol
LogP2.47
Rot. Bonds4

About diethoxyphosphorylformonitrile;methanediimine;hydrochloride

diethoxyphosphorylformonitrile;methanediimine;hydrochloride (PubChem CID 155345866) has the molecular formula C6H13ClN3O3P and a molecular weight of 241.61 g/mol. Its IUPAC name is diethoxyphosphorylformonitrile;methanediimine;hydrochloride.

Molecular Properties

Compound Namediethoxyphosphorylformonitrile;methanediimine;hydrochloride
PubChem CID155345866
Molecular FormulaC6H13ClN3O3P
Molecular Weight241.61 g/mol
Exact Mass241.04
IUPAC Namediethoxyphosphorylformonitrile;methanediimine;hydrochloride
SMILESCCOP(=O)(C#N)OCC.Cl.N=C=N
InChIInChI=1S/C5H10NO3P.CH2N2.ClH/c1-3-8-10(7,5-6)9-4-2;2-1-3;/h3-4H2,1-2H3;2-3H;1H
InChIKeyZGSAAISQYCEFJF-UHFFFAOYSA-N
XLogP2.47
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.61
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diethoxyphosphorylformonitrile;methanediimine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
CID 101187988
CID 101187988
cyano(ethoxy)phosphinate;trimethylsulfanium
CID 10727206
azane;[dimethylamino(ethoxy)phosphoryl]formonitrile
CID 175744163
CID 175738104
CID 175738104
4,4-bis(diethoxyphosphoryl)heptanedinitrile
CID 15811799
2-diethylphosphoryloxyacetonitrile
CID 175001568
diethyl hydrogen phosphate;scandium
CID 54607585
CID 172800669
CID 172800669
2-diethoxyphosphoryl-3-methylbutanenitrile
CID 11031342
2-diethoxyphosphorylbutanenitrile
CID 13179404
potassium cyanomethyl(ethoxy)phosphinate
CID 134863718

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylformonitrile;methanediimine;hydrochloride?
The IUPAC name of diethoxyphosphorylformonitrile;methanediimine;hydrochloride (CID 155345866) is diethoxyphosphorylformonitrile;methanediimine;hydrochloride.
What is the SMILES notation for diethoxyphosphorylformonitrile;methanediimine;hydrochloride?
The canonical SMILES for diethoxyphosphorylformonitrile;methanediimine;hydrochloride is CCOP(=O)(C#N)OCC.Cl.N=C=N.
What is the InChIKey of diethoxyphosphorylformonitrile;methanediimine;hydrochloride?
The InChIKey is ZGSAAISQYCEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P.CH2N2.ClH/c1-3-8-10(7,5-6)9-4-2;2-1-3;/h3-4H2,1-2H3;2-3H;1H.
What are the key properties of diethoxyphosphorylformonitrile;methanediimine;hydrochloride?
diethoxyphosphorylformonitrile;methanediimine;hydrochloride has a molecular weight of 241.61 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylformonitrile;methanediimine;hydrochloride is sourced from PubChem (CID 155345866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).