phenazine-1,2,3-triol

C12H8N2O3 — CID 163378643

IUPACphenazine-1,2,3-triol
SMILESOc1cc2nc3ccccc3nc2c(O)c1O
InChIInChI=1S/C12H8N2O3/c15-9-5-8-10(12(17)11(9)16)14-7-4-2-1-3-6(7)13-8/h1-5,15-17H
InChIKeyVNGCXYJYHHHWLN-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.90
Rot. Bonds

About phenazine-1,2,3-triol

phenazine-1,2,3-triol (PubChem CID 163378643) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is phenazine-1,2,3-triol.

Molecular Properties

Compound Namephenazine-1,2,3-triol
PubChem CID163378643
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Namephenazine-1,2,3-triol
SMILESOc1cc2nc3ccccc3nc2c(O)c1O
InChIInChI=1S/C12H8N2O3/c15-9-5-8-10(12(17)11(9)16)14-7-4-2-1-3-6(7)13-8/h1-5,15-17H
InChIKeyVNGCXYJYHHHWLN-UHFFFAOYSA-N
XLogP1.90
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', '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 phenazine-1,2,3-triol?
The IUPAC name of phenazine-1,2,3-triol (CID 163378643) is phenazine-1,2,3-triol.
What is the SMILES notation for phenazine-1,2,3-triol?
The canonical SMILES for phenazine-1,2,3-triol is Oc1cc2nc3ccccc3nc2c(O)c1O.
What is the InChIKey of phenazine-1,2,3-triol?
The InChIKey is VNGCXYJYHHHWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-9-5-8-10(12(17)11(9)16)14-7-4-2-1-3-6(7)13-8/h1-5,15-17H.
What are the key properties of phenazine-1,2,3-triol?
phenazine-1,2,3-triol has a molecular weight of 228.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine-1,2,3-triol is sourced from PubChem (CID 163378643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).