[1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate

C15H14N6O3 — CID 172877805

IUPAC[1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate
SMILESCC(=O)Nc1nc2ccccc2nc1-n1cc(COC(C)=O)nn1
InChIInChI=1S/C15H14N6O3/c1-9(22)16-14-15(18-13-6-4-3-5-12(13)17-14)21-7-11(19-20-21)8-24-10(2)23/h3-7H,8H2,1-2H3,(H,16,17,22)
InChIKeyWZEGYDRPGAIEAV-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.23
Rot. Bonds4

About [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate

[1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate (PubChem CID 172877805) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate
PubChem CID172877805
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name[1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate
SMILESCC(=O)Nc1nc2ccccc2nc1-n1cc(COC(C)=O)nn1
InChIInChI=1S/C15H14N6O3/c1-9(22)16-14-15(18-13-6-4-3-5-12(13)17-14)21-7-11(19-20-21)8-24-10(2)23/h3-7H,8H2,1-2H3,(H,16,17,22)
InChIKeyWZEGYDRPGAIEAV-UHFFFAOYSA-N
XLogP1.23
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate?
The IUPAC name of [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate (CID 172877805) is [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate.
What is the SMILES notation for [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate?
The canonical SMILES for [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate is CC(=O)Nc1nc2ccccc2nc1-n1cc(COC(C)=O)nn1.
What is the InChIKey of [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate?
The InChIKey is WZEGYDRPGAIEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-9(22)16-14-15(18-13-6-4-3-5-12(13)17-14)21-7-11(19-20-21)8-24-10(2)23/h3-7H,8H2,1-2H3,(H,16,17,22).
What are the key properties of [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate?
[1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate has a molecular weight of 326.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetamidoquinoxalin-2-yl)triazol-4-yl]methyl acetate is sourced from PubChem (CID 172877805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).