5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

C17H14N4O — CID 11543839

IUPAC5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESCc1ccc2c(c1)n1nc(-c3ccccc3)nc1c(=O)n2C
InChIInChI=1S/C17H14N4O/c1-11-8-9-13-14(10-11)21-16(17(22)20(13)2)18-15(19-21)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyYHUWNUARIGVFIB-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.56
Rot. Bonds1

About 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 11543839) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID11543839
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESCc1ccc2c(c1)n1nc(-c3ccccc3)nc1c(=O)n2C
InChIInChI=1S/C17H14N4O/c1-11-8-9-13-14(10-11)21-16(17(22)20(13)2)18-15(19-21)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyYHUWNUARIGVFIB-UHFFFAOYSA-N
XLogP2.56
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 11543839) is 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is Cc1ccc2c(c1)n1nc(-c3ccccc3)nc1c(=O)n2C.
What is the InChIKey of 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is YHUWNUARIGVFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-8-9-13-14(10-11)21-16(17(22)20(13)2)18-15(19-21)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 290.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 11543839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).