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'}

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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).