4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C17H15N5O2 — CID 52939090

IUPAC4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCOc1ccc2nc(N)c3nn(Cc4ccccc4)c(=O)n3c2c1
InChIInChI=1S/C17H15N5O2/c1-24-12-7-8-13-14(9-12)22-16(15(18)19-13)20-21(17(22)23)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyGAVOOZXTCZVDTI-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.68
Rot. Bonds3

About 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 52939090) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID52939090
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCOc1ccc2nc(N)c3nn(Cc4ccccc4)c(=O)n3c2c1
InChIInChI=1S/C17H15N5O2/c1-24-12-7-8-13-14(9-12)22-16(15(18)19-13)20-21(17(22)23)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyGAVOOZXTCZVDTI-UHFFFAOYSA-N
XLogP1.68
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one with MolForge

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Related Compounds

4-amino-2-benzyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939210
4-amino-2-benzyl-7-(methylperoxymethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 88891224
5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 59299636
4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939206
5-amino-2-benzyl-9-fluoro-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 59299664
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
4-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
CID 16676028
1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole
CID 159219786

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 52939090) is 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is COc1ccc2nc(N)c3nn(Cc4ccccc4)c(=O)n3c2c1.
What is the InChIKey of 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is GAVOOZXTCZVDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-12-7-8-13-14(9-12)22-16(15(18)19-13)20-21(17(22)23)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 321.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 52939090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).