azanium;morpholine;nitrate

C4H13N3O4 — CID 90214442

IUPACazanium;morpholine;nitrate
SMILESC1COCCN1.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/C4H9NO.NO3.H3N/c1-3-6-4-2-5-1;2-1(3)4;/h5H,1-4H2;;1H3/q;-1;/p+1
InChIKeyHPFGIMJTHHVIES-UHFFFAOYSA-O
MW167.16 g/mol
LogP-0.26
Rot. Bonds

About azanium;morpholine;nitrate

azanium;morpholine;nitrate (PubChem CID 90214442) has the molecular formula C4H13N3O4 and a molecular weight of 167.16 g/mol. Its IUPAC name is azanium;morpholine;nitrate.

Molecular Properties

Compound Nameazanium;morpholine;nitrate
PubChem CID90214442
Molecular FormulaC4H13N3O4
Molecular Weight167.16 g/mol
Exact Mass167.09
IUPAC Nameazanium;morpholine;nitrate
SMILESC1COCCN1.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/C4H9NO.NO3.H3N/c1-3-6-4-2-5-1;2-1(3)4;/h5H,1-4H2;;1H3/q;-1;/p+1
InChIKeyHPFGIMJTHHVIES-UHFFFAOYSA-O
XLogP-0.26
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 azanium;morpholine;nitrate?
The IUPAC name of azanium;morpholine;nitrate (CID 90214442) is azanium;morpholine;nitrate.
What is the SMILES notation for azanium;morpholine;nitrate?
The canonical SMILES for azanium;morpholine;nitrate is C1COCCN1.O=[N+]([O-])[O-].[NH4+].
What is the InChIKey of azanium;morpholine;nitrate?
The InChIKey is HPFGIMJTHHVIES-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO.NO3.H3N/c1-3-6-4-2-5-1;2-1(3)4;/h5H,1-4H2;;1H3/q;-1;/p+1.
What are the key properties of azanium;morpholine;nitrate?
azanium;morpholine;nitrate has a molecular weight of 167.16 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;morpholine;nitrate is sourced from PubChem (CID 90214442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).