4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C17H15N5O2 — CID 52939206

IUPAC4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCOc1ccccc1Cn1nc2c(N)nc3ccccc3n2c1=O
InChIInChI=1S/C17H15N5O2/c1-24-14-9-5-2-6-11(14)10-21-17(23)22-13-8-4-3-7-12(13)19-15(18)16(22)20-21/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyQIIXJLJHXQBXBL-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.68
Rot. Bonds3

About 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 52939206) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID52939206
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCOc1ccccc1Cn1nc2c(N)nc3ccccc3n2c1=O
InChIInChI=1S/C17H15N5O2/c1-24-14-9-5-2-6-11(14)10-21-17(23)22-13-8-4-3-7-12(13)19-15(18)16(22)20-21/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyQIIXJLJHXQBXBL-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-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one with MolForge

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Related Compounds

4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939090
4-amino-2-benzyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939210
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-(2-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25253404
10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
CID 91937758
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
1-cyclopentyl-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965242
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
(4R)-1-(2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773736
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
5-amino-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 59299636

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 52939206) is 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is COc1ccccc1Cn1nc2c(N)nc3ccccc3n2c1=O.
What is the InChIKey of 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is QIIXJLJHXQBXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-14-9-5-2-6-11(14)10-21-17(23)22-13-8-4-3-7-12(13)19-15(18)16(22)20-21/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of 4-amino-2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-amino-2-[(2-methoxyphenyl)methyl]-[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-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 52939206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).