10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine

C14H14N3O2+ — CID 171429197

IUPAC10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine
SMILESCc1cc2c(cc1C)[n+](=O)c1ccc(N)cc1n2O
InChIInChI=1S/C14H14N3O2/c1-8-5-12-13(6-9(8)2)17(19)14-7-10(15)3-4-11(14)16(12)18/h3-7,19H,15H2,1-2H3/q+1
InChIKeyFOJRBBDMOAFMFC-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.15
Rot. Bonds

About 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine

10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine (PubChem CID 171429197) has the molecular formula C14H14N3O2+ and a molecular weight of 256.28 g/mol. Its IUPAC name is 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine.

Molecular Properties

Compound Name10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine
PubChem CID171429197
Molecular FormulaC14H14N3O2+
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine
SMILESCc1cc2c(cc1C)[n+](=O)c1ccc(N)cc1n2O
InChIInChI=1S/C14H14N3O2/c1-8-5-12-13(6-9(8)2)17(19)14-7-10(15)3-4-11(14)16(12)18/h3-7,19H,15H2,1-2H3/q+1
InChIKeyFOJRBBDMOAFMFC-UHFFFAOYSA-N
XLogP2.15
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine?
The IUPAC name of 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine (CID 171429197) is 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine.
What is the SMILES notation for 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine?
The canonical SMILES for 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine is Cc1cc2c(cc1C)[n+](=O)c1ccc(N)cc1n2O.
What is the InChIKey of 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine?
The InChIKey is FOJRBBDMOAFMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N3O2/c1-8-5-12-13(6-9(8)2)17(19)14-7-10(15)3-4-11(14)16(12)18/h3-7,19H,15H2,1-2H3/q+1.
What are the key properties of 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine?
10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine has a molecular weight of 256.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-7,8-dimethyl-5-oxophenazin-5-ium-2-amine is sourced from PubChem (CID 171429197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).