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

C3H9N3O9 — CID 66827959

IUPAC1,2,3-tris[(dihydroxyamino)oxy]cyclopropane
SMILESON(O)OC1C(ON(O)O)C1ON(O)O
InChIInChI=1S/C3H9N3O9/c7-4(8)13-1-2(14-5(9)10)3(1)15-6(11)12/h1-3,7-12H
InChIKeyGQJZLDDUORTVSA-UHFFFAOYSA-N
MW231.12 g/mol
LogP-1.86
Rot. Bonds6

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

1,2,3-tris[(dihydroxyamino)oxy]cyclopropane (PubChem CID 66827959) has the molecular formula C3H9N3O9 and a molecular weight of 231.12 g/mol. Its IUPAC name is 1,2,3-tris[(dihydroxyamino)oxy]cyclopropane.

Molecular Properties

Compound Name1,2,3-tris[(dihydroxyamino)oxy]cyclopropane
PubChem CID66827959
Molecular FormulaC3H9N3O9
Molecular Weight231.12 g/mol
Exact Mass231.03
IUPAC Name1,2,3-tris[(dihydroxyamino)oxy]cyclopropane
SMILESON(O)OC1C(ON(O)O)C1ON(O)O
InChIInChI=1S/C3H9N3O9/c7-4(8)13-1-2(14-5(9)10)3(1)15-6(11)12/h1-3,7-12H
InChIKeyGQJZLDDUORTVSA-UHFFFAOYSA-N
XLogP-1.86
TPSA158.79 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500231.12
LogP ≤ 5-1.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris[(dihydroxyamino)oxy]cyclopropane?
The IUPAC name of 1,2,3-tris[(dihydroxyamino)oxy]cyclopropane (CID 66827959) is 1,2,3-tris[(dihydroxyamino)oxy]cyclopropane.
What is the SMILES notation for 1,2,3-tris[(dihydroxyamino)oxy]cyclopropane?
The canonical SMILES for 1,2,3-tris[(dihydroxyamino)oxy]cyclopropane is ON(O)OC1C(ON(O)O)C1ON(O)O.
What is the InChIKey of 1,2,3-tris[(dihydroxyamino)oxy]cyclopropane?
The InChIKey is GQJZLDDUORTVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O9/c7-4(8)13-1-2(14-5(9)10)3(1)15-6(11)12/h1-3,7-12H.
What are the key properties of 1,2,3-tris[(dihydroxyamino)oxy]cyclopropane?
1,2,3-tris[(dihydroxyamino)oxy]cyclopropane has a molecular weight of 231.12 g/mol, XLogP of -1.86, 6 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]cyclopropane is sourced from PubChem (CID 66827959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).