5-aminoquinoxalin-6-ol

C8H7N3O — CID 136965708

IUPAC5-aminoquinoxalin-6-ol
SMILESNc1c(O)ccc2nccnc12
InChIInChI=1S/C8H7N3O/c9-7-6(12)2-1-5-8(7)11-4-3-10-5/h1-4,12H,9H2
InChIKeyZQRKMIJDONOCRE-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.92
Rot. Bonds

About 5-aminoquinoxalin-6-ol

5-aminoquinoxalin-6-ol (PubChem CID 136965708) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-aminoquinoxalin-6-ol.

Molecular Properties

Compound Name5-aminoquinoxalin-6-ol
PubChem CID136965708
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-aminoquinoxalin-6-ol
SMILESNc1c(O)ccc2nccnc12
InChIInChI=1S/C8H7N3O/c9-7-6(12)2-1-5-8(7)11-4-3-10-5/h1-4,12H,9H2
InChIKeyZQRKMIJDONOCRE-UHFFFAOYSA-N
XLogP0.92
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminoquinoxalin-6-ol?
The IUPAC name of 5-aminoquinoxalin-6-ol (CID 136965708) is 5-aminoquinoxalin-6-ol.
What is the SMILES notation for 5-aminoquinoxalin-6-ol?
The canonical SMILES for 5-aminoquinoxalin-6-ol is Nc1c(O)ccc2nccnc12.
What is the InChIKey of 5-aminoquinoxalin-6-ol?
The InChIKey is ZQRKMIJDONOCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-7-6(12)2-1-5-8(7)11-4-3-10-5/h1-4,12H,9H2.
What are the key properties of 5-aminoquinoxalin-6-ol?
5-aminoquinoxalin-6-ol has a molecular weight of 161.16 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoquinoxalin-6-ol is sourced from PubChem (CID 136965708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).