2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol

C13H13N5O — CID 62875713

IUPAC2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol
SMILESNc1cc(-c2ccc3nccnc3c2)nn1CCO
InChIInChI=1S/C13H13N5O/c14-13-8-11(17-18(13)5-6-19)9-1-2-10-12(7-9)16-4-3-15-10/h1-4,7-8,19H,5-6,14H2
InChIKeyVGQGALZVDXLWAN-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.07
Rot. Bonds3

About 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol

2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol (PubChem CID 62875713) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol
PubChem CID62875713
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol
SMILESNc1cc(-c2ccc3nccnc3c2)nn1CCO
InChIInChI=1S/C13H13N5O/c14-13-8-11(17-18(13)5-6-19)9-1-2-10-12(7-9)16-4-3-15-10/h1-4,7-8,19H,5-6,14H2
InChIKeyVGQGALZVDXLWAN-UHFFFAOYSA-N
XLogP1.07
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol (CID 62875713) is 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol is Nc1cc(-c2ccc3nccnc3c2)nn1CCO.
What is the InChIKey of 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol?
The InChIKey is VGQGALZVDXLWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-13-8-11(17-18(13)5-6-19)9-1-2-10-12(7-9)16-4-3-15-10/h1-4,7-8,19H,5-6,14H2.
What are the key properties of 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol?
2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol has a molecular weight of 255.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 62875713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).