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

C15H10N4O — CID 901348

IUPAC1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C15H10N4O/c20-15-14-18-17-13(10-6-2-1-3-7-10)19(14)12-9-5-4-8-11(12)16-15/h1-9H,(H,16,20)
InChIKeyWNTCOOOGTSGZLG-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.24
Rot. Bonds1

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

1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 901348) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID901348
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C15H10N4O/c20-15-14-18-17-13(10-6-2-1-3-7-10)19(14)12-9-5-4-8-11(12)16-15/h1-9H,(H,16,20)
InChIKeyWNTCOOOGTSGZLG-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135465884
2-(2-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736247
1-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-ol
CID 3843652
(3R)-4-cyclopentyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
CID 146322248
4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
CID 146322294
1-(4-Methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473223
8-chloro-2-(3-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 9972965
2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10016491
8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10425813
4,5-Dihydro-5,8-dimethyl-2-phenyl-1,2,4-triazolo[1,5-a]quinoxalin-4-one
CID 11543839
N-benzyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 11659733
8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405115

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 901348) is 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2ccccc2n2c(-c3ccccc3)nnc12.
What is the InChIKey of 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is WNTCOOOGTSGZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-15-14-18-17-13(10-6-2-1-3-7-10)19(14)12-9-5-4-8-11(12)16-15/h1-9H,(H,16,20).
What are the key properties of 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 262.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 901348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).