2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide

C16H18N6O3 — CID 131920754

IUPAC2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(CCc2nc3ccccc3[nH]c2=O)n(CCO)n1
InChIInChI=1S/C16H18N6O3/c17-13(24)9-14-20-15(22(21-14)7-8-23)6-5-12-16(25)19-11-4-2-1-3-10(11)18-12/h1-4,23H,5-9H2,(H2,17,24)(H,19,25)
InChIKeyGOBZILQHEGUAAI-UHFFFAOYSA-N
MW342.36 g/mol
LogP-0.68
Rot. Bonds7

About 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide

2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 131920754) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID131920754
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(CCc2nc3ccccc3[nH]c2=O)n(CCO)n1
InChIInChI=1S/C16H18N6O3/c17-13(24)9-14-20-15(22(21-14)7-8-23)6-5-12-16(25)19-11-4-2-1-3-10(11)18-12/h1-4,23H,5-9H2,(H2,17,24)(H,19,25)
InChIKeyGOBZILQHEGUAAI-UHFFFAOYSA-N
XLogP-0.68
TPSA139.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
CID 62022162
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742757
3-[2-[2-(2-hydroxybutyl)-1,2,4-triazol-3-yl]ethyl]-1H-quinoxalin-2-one
CID 72878349
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
3-[3-oxo-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 72902475
2-[5-[4-(1,3-benzothiazol-2-yl)butyl]-1-butyl-1,2,4-triazol-3-yl]acetamide
CID 154823431
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
(2-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 956284
3-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinoxalin-2-one
CID 61468885
5-methyl-1-[(3-oxo-4H-quinoxalin-2-yl)methyl]triazole-4-carboxylic acid
CID 62053696
3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 110665541

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide (CID 131920754) is 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(CCc2nc3ccccc3[nH]c2=O)n(CCO)n1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is GOBZILQHEGUAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c17-13(24)9-14-20-15(22(21-14)7-8-23)6-5-12-16(25)19-11-4-2-1-3-10(11)18-12/h1-4,23H,5-9H2,(H2,17,24)(H,19,25).
What are the key properties of 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 342.36 g/mol, XLogP of -0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-5-[2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131920754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).