1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C14H9N5O — CID 838854

IUPAC1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2c(-c3ccncc3)nnc12
InChIInChI=1S/C14H9N5O/c20-14-13-18-17-12(9-5-7-15-8-6-9)19(13)11-4-2-1-3-10(11)16-14/h1-8H,(H,16,20)
InChIKeyQJINFBPETJMVBD-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.63
Rot. Bonds1

About 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 838854) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID838854
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2c(-c3ccncc3)nnc12
InChIInChI=1S/C14H9N5O/c20-14-13-18-17-12(9-5-7-15-8-6-9)19(13)11-4-2-1-3-10(11)16-14/h1-8H,(H,16,20)
InChIKeyQJINFBPETJMVBD-UHFFFAOYSA-N
XLogP1.63
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5H-imidazo[1,2-a]quinoxalin-4-one
CID 10264635
12-Imidazol-1-yl-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 15076561
2-pyridin-3-yl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736242
2-(Pyridin-4-yl)1,2,4-triazolo[1,5-c]quinazolin-5(6H)-one
CID 135799513
5-Cyclopentyl-7-[4-(4-ethylpiperazin-1-yl)anilino]-1-methyl-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534136
5-Cyclopentyl-1-methyl-7-[4-(4-methylpiperazin-1-yl)anilino]-[1,2,4]triazolo[4,3-f]pteridin-4-one
CID 153534159
1,5-diphenyl-N-(2-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
CID 900901
1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 901348
4-[2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2463201
7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2477795
5,7-dimethyl-N-3-pyridinyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2979484
2-[2-(2-pyridyl)benzimidazol-1-yl]-N-(3-pyridylmethyleneamino)acetamide
CID 9553382

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 838854) is 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2ccccc2n2c(-c3ccncc3)nnc12.
What is the InChIKey of 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is QJINFBPETJMVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c20-14-13-18-17-12(9-5-7-15-8-6-9)19(13)11-4-2-1-3-10(11)16-14/h1-8H,(H,16,20).
What are the key properties of 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 263.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 838854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).