1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone

C17H13N5O — CID 5295760

IUPAC1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H13N5O/c1-11(23)12-5-4-6-13(9-12)19-16-17-21-18-10-22(17)15-8-3-2-7-14(15)20-16/h2-10H,1H3,(H,19,20)
InChIKeyQXOZVWXVQPVOAI-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.22
Rot. Bonds3

About 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone

1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone (PubChem CID 5295760) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone
PubChem CID5295760
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H13N5O/c1-11(23)12-5-4-6-13(9-12)19-16-17-21-18-10-22(17)15-8-3-2-7-14(15)20-16/h2-10H,1H3,(H,19,20)
InChIKeyQXOZVWXVQPVOAI-UHFFFAOYSA-N
XLogP3.22
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 438569
7-(2-Amino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455580
7-[2-(Dimethylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455582
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[2-(1,2,4-Triazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455587
7-[5-Methyl-2-(triazol-1-yl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one
CID 455588
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592
7-[2-(2-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455593
10-[2-(Diethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 371512
N-Benzyl-4-Methyl-1-Phenyl[1,2,4]triazolo[4,3-A]quinoxaline-8-Carboxamide
CID 71153223

Frequently Asked Questions

What is the IUPAC name of 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone?
The IUPAC name of 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone (CID 5295760) is 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone is CC(=O)c1cccc(Nc2nc3ccccc3n3cnnc23)c1.
What is the InChIKey of 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone?
The InChIKey is QXOZVWXVQPVOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-11(23)12-5-4-6-13(9-12)19-16-17-21-18-10-22(17)15-8-3-2-7-14(15)20-16/h2-10H,1H3,(H,19,20).
What are the key properties of 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone?
1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone has a molecular weight of 303.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone is sourced from PubChem (CID 5295760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).