2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C15H10N4O — CID 69409945

IUPAC2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2cnc3ccccc3n12
InChIInChI=1S/C15H10N4O/c20-15-18-13-9-5-4-8-12(13)16-10-14(18)17-19(15)11-6-2-1-3-7-11/h1-10H
InChIKeyKTHBKPNJSZHAJR-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.03
Rot. Bonds1

About 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 69409945) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID69409945
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2cnc3ccccc3n12
InChIInChI=1S/C15H10N4O/c20-15-18-13-9-5-4-8-12(13)16-10-14(18)17-19(15)11-6-2-1-3-7-11/h1-10H
InChIKeyKTHBKPNJSZHAJR-UHFFFAOYSA-N
XLogP2.03
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 69409945) is 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccccc2)nc2cnc3ccccc3n12.
What is the InChIKey of 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is KTHBKPNJSZHAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-15-18-13-9-5-4-8-12(13)16-10-14(18)17-19(15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 262.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 69409945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).