triazanium;2-hydroxypropanoate;nitrate;nitrite

C3H17N5O8 — CID 156790891

IUPACtriazanium;2-hydroxypropanoate;nitrate;nitrite
SMILESCC(O)C(=O)[O-].O=N[O-].O=[N+]([O-])[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C3H6O3.NO3.HNO2.3H3N/c1-2(4)3(5)6;2-1(3)4;2-1-3;;;/h2,4H,1H3,(H,5,6);;(H,2,3);3*1H3/q;-1;;;;/p+1
InChIKeyHCADZFOIQYDINY-UHFFFAOYSA-O
MW251.20 g/mol
LogP-0.74
Rot. Bonds1

About triazanium;2-hydroxypropanoate;nitrate;nitrite

triazanium;2-hydroxypropanoate;nitrate;nitrite (PubChem CID 156790891) has the molecular formula C3H17N5O8 and a molecular weight of 251.20 g/mol. Its IUPAC name is triazanium;2-hydroxypropanoate;nitrate;nitrite.

Molecular Properties

Compound Nametriazanium;2-hydroxypropanoate;nitrate;nitrite
PubChem CID156790891
Molecular FormulaC3H17N5O8
Molecular Weight251.20 g/mol
Exact Mass251.11
IUPAC Nametriazanium;2-hydroxypropanoate;nitrate;nitrite
SMILESCC(O)C(=O)[O-].O=N[O-].O=[N+]([O-])[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C3H6O3.NO3.HNO2.3H3N/c1-2(4)3(5)6;2-1(3)4;2-1-3;;;/h2,4H,1H3,(H,5,6);;(H,2,3);3*1H3/q;-1;;;;/p+1
InChIKeyHCADZFOIQYDINY-UHFFFAOYSA-O
XLogP-0.74
TPSA288.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azanium;tris(2-hydroxypropanoate);manganese(2+)
CID 158994016
diazanium;bis(2-hydroxypropanoate);titanium(2+);dihydroxide
CID 173141104
strontium bis(2-hydroxypropanoate)
CID 91886528
copper bis(2-hydroxypropanoate)
CID 13145
iodanium 2-hydroxypropanoate
CID 158316585
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
2-hydroxypropanoate;tantalum(5+)
CID 172796362
gold(3+);tris(2-hydroxypropanoate)
CID 157164422

Frequently Asked Questions

What is the IUPAC name of triazanium;2-hydroxypropanoate;nitrate;nitrite?
The IUPAC name of triazanium;2-hydroxypropanoate;nitrate;nitrite (CID 156790891) is triazanium;2-hydroxypropanoate;nitrate;nitrite.
What is the SMILES notation for triazanium;2-hydroxypropanoate;nitrate;nitrite?
The canonical SMILES for triazanium;2-hydroxypropanoate;nitrate;nitrite is CC(O)C(=O)[O-].O=N[O-].O=[N+]([O-])[O-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;2-hydroxypropanoate;nitrate;nitrite?
The InChIKey is HCADZFOIQYDINY-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6O3.NO3.HNO2.3H3N/c1-2(4)3(5)6;2-1(3)4;2-1-3;;;/h2,4H,1H3,(H,5,6);;(H,2,3);3*1H3/q;-1;;;;/p+1.
What are the key properties of triazanium;2-hydroxypropanoate;nitrate;nitrite?
triazanium;2-hydroxypropanoate;nitrate;nitrite has a molecular weight of 251.20 g/mol, XLogP of -0.74, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;2-hydroxypropanoate;nitrate;nitrite is sourced from PubChem (CID 156790891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).