[1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide

C4H12N5O3-3 — CID 163460285

IUPAC[1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide
SMILESCC(OCC(N)N(N)[O-])N([NH-])[O-]
InChIInChI=1S/C4H12N5O3/c1-3(8(6)10)12-2-4(5)9(7)11/h3-4,6H,2,5,7H2,1H3/q-3
InChIKeyYXOQSWRCZRFQLZ-UHFFFAOYSA-N
MW178.17 g/mol
LogP-0.93
Rot. Bonds5

About [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide

[1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide (PubChem CID 163460285) has the molecular formula C4H12N5O3-3 and a molecular weight of 178.17 g/mol. Its IUPAC name is [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide.

Molecular Properties

Compound Name[1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide
PubChem CID163460285
Molecular FormulaC4H12N5O3-3
Molecular Weight178.17 g/mol
Exact Mass178.10
IUPAC Name[1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide
SMILESCC(OCC(N)N(N)[O-])N([NH-])[O-]
InChIInChI=1S/C4H12N5O3/c1-3(8(6)10)12-2-4(5)9(7)11/h3-4,6H,2,5,7H2,1H3/q-3
InChIKeyYXOQSWRCZRFQLZ-UHFFFAOYSA-N
XLogP-0.93
TPSA137.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide?
The IUPAC name of [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide (CID 163460285) is [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide.
What is the SMILES notation for [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide?
The canonical SMILES for [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide is CC(OCC(N)N(N)[O-])N([NH-])[O-].
What is the InChIKey of [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide?
The InChIKey is YXOQSWRCZRFQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N5O3/c1-3(8(6)10)12-2-4(5)9(7)11/h3-4,6H,2,5,7H2,1H3/q-3.
What are the key properties of [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide?
[1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide has a molecular weight of 178.17 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-2-[amino(oxido)amino]ethoxy]ethyl-oxidoamino]azanide is sourced from PubChem (CID 163460285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).