5-ethynylquinoxaline

C10H6N2 — CID 87150126

IUPAC5-ethynylquinoxaline
SMILESC#Cc1cccc2nccnc12
InChIInChI=1S/C10H6N2/c1-2-8-4-3-5-9-10(8)12-7-6-11-9/h1,3-7H
InChIKeyOWACAKSTKOEANZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.61
Rot. Bonds

About 5-ethynylquinoxaline

5-ethynylquinoxaline (PubChem CID 87150126) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-ethynylquinoxaline.

Molecular Properties

Compound Name5-ethynylquinoxaline
PubChem CID87150126
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Name5-ethynylquinoxaline
SMILESC#Cc1cccc2nccnc12
InChIInChI=1S/C10H6N2/c1-2-8-4-3-5-9-10(8)12-7-6-11-9/h1,3-7H
InChIKeyOWACAKSTKOEANZ-UHFFFAOYSA-N
XLogP1.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynylquinoxaline?
The IUPAC name of 5-ethynylquinoxaline (CID 87150126) is 5-ethynylquinoxaline.
What is the SMILES notation for 5-ethynylquinoxaline?
The canonical SMILES for 5-ethynylquinoxaline is C#Cc1cccc2nccnc12.
What is the InChIKey of 5-ethynylquinoxaline?
The InChIKey is OWACAKSTKOEANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2/c1-2-8-4-3-5-9-10(8)12-7-6-11-9/h1,3-7H.
What are the key properties of 5-ethynylquinoxaline?
5-ethynylquinoxaline has a molecular weight of 154.17 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynylquinoxaline is sourced from PubChem (CID 87150126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).