1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one

C18H16N4O — CID 118721209

IUPAC1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
SMILESCCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIInChI=1S/C18H16N4O/c1-2-17(23)21-12-16-19-18(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3
InChIKeyKZQRFVQWXHYLGT-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.19
Rot. Bonds2

About 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one

1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one (PubChem CID 118721209) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
PubChem CID118721209
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
SMILESCCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIInChI=1S/C18H16N4O/c1-2-17(23)21-12-16-19-18(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3
InChIKeyKZQRFVQWXHYLGT-UHFFFAOYSA-N
XLogP3.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one?
The IUPAC name of 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one (CID 118721209) is 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one?
The canonical SMILES for 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one is CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21.
What is the InChIKey of 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one?
The InChIKey is KZQRFVQWXHYLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-17(23)21-12-16-19-18(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3.
What are the key properties of 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one?
1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one is sourced from PubChem (CID 118721209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).