3-aminophenazin-2-ol

C12H9N3O — CID 135408605

IUPAC3-aminophenazin-2-ol
SMILESNc1cc2nc3ccccc3nc2cc1O
InChIInChI=1S/C12H9N3O/c13-7-5-10-11(6-12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H,13H2
InChIKeyAJIRUIWLEVHQMU-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.07
Rot. Bonds

About 3-aminophenazin-2-ol

3-aminophenazin-2-ol (PubChem CID 135408605) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-aminophenazin-2-ol.

Molecular Properties

Compound Name3-aminophenazin-2-ol
PubChem CID135408605
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-aminophenazin-2-ol
SMILESNc1cc2nc3ccccc3nc2cc1O
InChIInChI=1S/C12H9N3O/c13-7-5-10-11(6-12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H,13H2
InChIKeyAJIRUIWLEVHQMU-UHFFFAOYSA-N
XLogP2.07
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminophenazin-2-ol?
The IUPAC name of 3-aminophenazin-2-ol (CID 135408605) is 3-aminophenazin-2-ol.
What is the SMILES notation for 3-aminophenazin-2-ol?
The canonical SMILES for 3-aminophenazin-2-ol is Nc1cc2nc3ccccc3nc2cc1O.
What is the InChIKey of 3-aminophenazin-2-ol?
The InChIKey is AJIRUIWLEVHQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-7-5-10-11(6-12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H,13H2.
What are the key properties of 3-aminophenazin-2-ol?
3-aminophenazin-2-ol has a molecular weight of 211.22 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminophenazin-2-ol is sourced from PubChem (CID 135408605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).