diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide

C5H17N6O5P — CID 71522022

IUPACdiazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide
SMILESCC(=O)N(O)CCC(N=[N+]=[N-])P(=O)([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C5H11N4O5P.2H3N/c1-4(10)9(11)3-2-5(7-8-6)15(12,13)14;;/h5,11H,2-3H2,1H3,(H2,12,13,14);2*1H3
InChIKeyATSNHPPAMIZWRO-UHFFFAOYSA-N
MW272.20 g/mol
LogP-0.08
Rot. Bonds5

About diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide

diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide (PubChem CID 71522022) has the molecular formula C5H17N6O5P and a molecular weight of 272.20 g/mol. Its IUPAC name is diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide.

Molecular Properties

Compound Namediazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide
PubChem CID71522022
Molecular FormulaC5H17N6O5P
Molecular Weight272.20 g/mol
Exact Mass272.10
IUPAC Namediazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide
SMILESCC(=O)N(O)CCC(N=[N+]=[N-])P(=O)([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C5H11N4O5P.2H3N/c1-4(10)9(11)3-2-5(7-8-6)15(12,13)14;;/h5,11H,2-3H2,1H3,(H2,12,13,14);2*1H3
InChIKeyATSNHPPAMIZWRO-UHFFFAOYSA-N
XLogP-0.08
TPSA225.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide 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

[3-[acetyl(hydroxy)amino]-1-(diaminomethylideneamino)propyl]phosphonic acid
CID 71816115
[4-[acetyl(hydroxy)amino]-1-(trimethylazaniumyl)butan-2-yl]-hydroxyphosphinate
CID 71816118
3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid
CID 140747508
N-heptyl-N-hydroxyacetamide
CID 71399613
1-azido-1-diethoxyphosphorylpropane
CID 10353441
dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
CID 155666645
3-[acetyl(hydroxy)amino]propylazanium
CID 25201397
1-N,2-N,3-N-tris[3-[acetyl(hydroxy)amino]propyl]propane-1,2,3-tricarboxamide
CID 13417378
2-azido-4-methylpentan-3-one
CID 150180887
azane;2-[2-(diethylamino)ethyl]propanedioate;phosphoric acid;platinum(2+)
CID 71609618
(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
CID 101406077
azido-dioxido-oxo-λ5-phosphane
CID 22252212

Frequently Asked Questions

What is the IUPAC name of diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide?
The IUPAC name of diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide (CID 71522022) is diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide.
What is the SMILES notation for diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide?
The canonical SMILES for diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide is CC(=O)N(O)CCC(N=[N+]=[N-])P(=O)([O-])[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide?
The InChIKey is ATSNHPPAMIZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N4O5P.2H3N/c1-4(10)9(11)3-2-5(7-8-6)15(12,13)14;;/h5,11H,2-3H2,1H3,(H2,12,13,14);2*1H3.
What are the key properties of diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide?
diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide has a molecular weight of 272.20 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;N-(3-azido-3-phosphonatopropyl)-N-hydroxyacetamide is sourced from PubChem (CID 71522022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).