1,2,3-tris[(dihydroxyamino)oxy]propane

C3H11N3O9 — CID 87171327

IUPAC1,2,3-tris[(dihydroxyamino)oxy]propane
SMILESON(O)OCC(CON(O)O)ON(O)O
InChIInChI=1S/C3H11N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3,7-12H,1-2H2
InChIKeyCBBXWCXYHTWFCK-UHFFFAOYSA-N
MW233.13 g/mol
LogP-1.61
Rot. Bonds8

About 1,2,3-tris[(dihydroxyamino)oxy]propane

1,2,3-tris[(dihydroxyamino)oxy]propane (PubChem CID 87171327) has the molecular formula C3H11N3O9 and a molecular weight of 233.13 g/mol. Its IUPAC name is 1,2,3-tris[(dihydroxyamino)oxy]propane.

Molecular Properties

Compound Name1,2,3-tris[(dihydroxyamino)oxy]propane
PubChem CID87171327
Molecular FormulaC3H11N3O9
Molecular Weight233.13 g/mol
Exact Mass233.05
IUPAC Name1,2,3-tris[(dihydroxyamino)oxy]propane
SMILESON(O)OCC(CON(O)O)ON(O)O
InChIInChI=1S/C3H11N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3,7-12H,1-2H2
InChIKeyCBBXWCXYHTWFCK-UHFFFAOYSA-N
XLogP-1.61
TPSA158.79 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500233.13
LogP ≤ 5-1.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,2,3-tris[(dihydroxyamino)oxy]propane 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

Water nitroglycerin
CID 129734959
hydroxy-[(2S)-1-[hydroxy(oxo)azaniumyl]oxy-3-nitrooxypropan-2-yl]oxy-oxoazanium
CID 59157469
1,2,3-Tris[(dihydroxyamino)oxy]cyclopropane
CID 66827959
1,2-Bis[(dihydroxyamino)oxy]propane
CID 88870638
1,3-Dinitrooxypropan-2-yl nitrate;nitric acid
CID 88921613
1,3-Bis[[hydroxy(oxo)azaniumyl]oxy]propan-2-yloxy-hydroxy-oxoazanium
CID 101603099
1,3-Dinitrooxypropan-2-yl nitrate;trihydrate
CID 139844907
2,3-Dinitrooxypropoxy-hydroxy-oxoazanium
CID 148158853
1,3-Dinitrooxypropan-2-yl nitrate;bis(nitric acid)
CID 157323164
2,3-Dinitrooxypropoxy-hydroxy-oxoazanium;methane
CID 157715240
1,3-Dinitrooxypropan-2-yl nitrate;tris(nitric acid)
CID 161783964
1,3-Dinitrooxypropan-2-yl nitrate;nitrous acid
CID 163510916

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris[(dihydroxyamino)oxy]propane?
The IUPAC name of 1,2,3-tris[(dihydroxyamino)oxy]propane (CID 87171327) is 1,2,3-tris[(dihydroxyamino)oxy]propane.
What is the SMILES notation for 1,2,3-tris[(dihydroxyamino)oxy]propane?
The canonical SMILES for 1,2,3-tris[(dihydroxyamino)oxy]propane is ON(O)OCC(CON(O)O)ON(O)O.
What is the InChIKey of 1,2,3-tris[(dihydroxyamino)oxy]propane?
The InChIKey is CBBXWCXYHTWFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3,7-12H,1-2H2.
What are the key properties of 1,2,3-tris[(dihydroxyamino)oxy]propane?
1,2,3-tris[(dihydroxyamino)oxy]propane has a molecular weight of 233.13 g/mol, XLogP of -1.61, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris[(dihydroxyamino)oxy]propane is sourced from PubChem (CID 87171327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).