3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one

C14H11N7O — CID 135818382

IUPAC3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one
SMILESCc1nc(-c2nc3ccccc3[nH]c2=O)c2nnc(C)n2n1
InChIInChI=1S/C14H11N7O/c1-7-15-11(13-19-18-8(2)21(13)20-7)12-14(22)17-10-6-4-3-5-9(10)16-12/h3-6H,1-2H3,(H,17,22)
InChIKeyHGSKYERMYXRCGO-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.04
Rot. Bonds1

About 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one

3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one (PubChem CID 135818382) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one
PubChem CID135818382
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one
SMILESCc1nc(-c2nc3ccccc3[nH]c2=O)c2nnc(C)n2n1
InChIInChI=1S/C14H11N7O/c1-7-15-11(13-19-18-8(2)21(13)20-7)12-14(22)17-10-6-4-3-5-9(10)16-12/h3-6H,1-2H3,(H,17,22)
InChIKeyHGSKYERMYXRCGO-UHFFFAOYSA-N
XLogP1.04
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-(2-methyl-1,2,4-triazol-3-yl)-1H-quinoxalin-2-one
CID 137079359
3-(3-bromophenyl)-1H-quinoxalin-2-one
CID 11738152
2-methyl-1H-benzimidazole
CID 11984
2,4-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
CID 100766377
3-(5-ethyl-3-methylpyrazol-1-yl)-1H-quinoxalin-2-one
CID 45258655
3-(1H-pyrazol-4-yl)-1H-quinoxalin-2-one
CID 14739100
3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
CID 134842555
methanamine;2-methyl-1H-benzimidazole
CID 143453689
3-[1-(2-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one
CID 135818479
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
3-(3-phenyl-1H-pyrazol-5-yl)-1H-quinoxalin-2-one
CID 135585445
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one (CID 135818382) is 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one is Cc1nc(-c2nc3ccccc3[nH]c2=O)c2nnc(C)n2n1.
What is the InChIKey of 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one?
The InChIKey is HGSKYERMYXRCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c1-7-15-11(13-19-18-8(2)21(13)20-7)12-14(22)17-10-6-4-3-5-9(10)16-12/h3-6H,1-2H3,(H,17,22).
What are the key properties of 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one?
3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one has a molecular weight of 293.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 135818382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).