4-amino-3,5-diaminooxyphenol

C6H9N3O3 — CID 70420776

IUPAC4-amino-3,5-diaminooxyphenol
SMILESNOc1cc(O)cc(ON)c1N
InChIInChI=1S/C6H9N3O3/c7-6-4(11-8)1-3(10)2-5(6)12-9/h1-2,10H,7-9H2
InChIKeyYWOZRBHNVJTTOR-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.52
Rot. Bonds2

About 4-amino-3,5-diaminooxyphenol

4-amino-3,5-diaminooxyphenol (PubChem CID 70420776) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-amino-3,5-diaminooxyphenol.

Molecular Properties

Compound Name4-amino-3,5-diaminooxyphenol
PubChem CID70420776
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name4-amino-3,5-diaminooxyphenol
SMILESNOc1cc(O)cc(ON)c1N
InChIInChI=1S/C6H9N3O3/c7-6-4(11-8)1-3(10)2-5(6)12-9/h1-2,10H,7-9H2
InChIKeyYWOZRBHNVJTTOR-UHFFFAOYSA-N
XLogP-0.52
TPSA116.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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 4-amino-3,5-diaminooxyphenol?
The IUPAC name of 4-amino-3,5-diaminooxyphenol (CID 70420776) is 4-amino-3,5-diaminooxyphenol.
What is the SMILES notation for 4-amino-3,5-diaminooxyphenol?
The canonical SMILES for 4-amino-3,5-diaminooxyphenol is NOc1cc(O)cc(ON)c1N.
What is the InChIKey of 4-amino-3,5-diaminooxyphenol?
The InChIKey is YWOZRBHNVJTTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c7-6-4(11-8)1-3(10)2-5(6)12-9/h1-2,10H,7-9H2.
What are the key properties of 4-amino-3,5-diaminooxyphenol?
4-amino-3,5-diaminooxyphenol has a molecular weight of 171.16 g/mol, XLogP of -0.52, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-diaminooxyphenol is sourced from PubChem (CID 70420776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).