diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane

C8H13N4O4P — CID 3079442

IUPACdiazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane
SMILESO=P([O-])([O-])c1cc(-c2ccncc2)no1.[NH4+].[NH4+]
InChIInChI=1S/C8H7N2O4P.2H3N/c11-15(12,13)8-5-7(10-14-8)6-1-3-9-4-2-6;;/h1-5H,(H2,11,12,13);2*1H3
InChIKeyBLTNTIYMQWHMFT-UHFFFAOYSA-N
MW260.19 g/mol
LogP0.03
Rot. Bonds2

About diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane

diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane (PubChem CID 3079442) has the molecular formula C8H13N4O4P and a molecular weight of 260.19 g/mol. Its IUPAC name is diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane.

Molecular Properties

Compound Namediazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane
PubChem CID3079442
Molecular FormulaC8H13N4O4P
Molecular Weight260.19 g/mol
Exact Mass260.07
IUPAC Namediazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane
SMILESO=P([O-])([O-])c1cc(-c2ccncc2)no1.[NH4+].[NH4+]
InChIInChI=1S/C8H7N2O4P.2H3N/c11-15(12,13)8-5-7(10-14-8)6-1-3-9-4-2-6;;/h1-5H,(H2,11,12,13);2*1H3
InChIKeyBLTNTIYMQWHMFT-UHFFFAOYSA-N
XLogP0.03
TPSA175.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane?
The IUPAC name of diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane (CID 3079442) is diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane.
What is the SMILES notation for diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane?
The canonical SMILES for diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane is O=P([O-])([O-])c1cc(-c2ccncc2)no1.[NH4+].[NH4+].
What is the InChIKey of diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane?
The InChIKey is BLTNTIYMQWHMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O4P.2H3N/c11-15(12,13)8-5-7(10-14-8)6-1-3-9-4-2-6;;/h1-5H,(H2,11,12,13);2*1H3.
What are the key properties of diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane?
diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane has a molecular weight of 260.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;dioxido-oxo-(3-pyridin-4-yl-1,2-oxazol-5-yl)-lambda5-phosphane is sourced from PubChem (CID 3079442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).