3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one

C20H19N5O — CID 50979819

IUPAC3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1CCc1nc(CCc2ccccc2)n[nH]1
InChIInChI=1S/C20H19N5O/c26-20-17(21-15-8-4-5-9-16(15)22-20)11-13-19-23-18(24-25-19)12-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,26)(H,23,24,25)
InChIKeyGADPNEZVEQJEML-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.61
Rot. Bonds6

About 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one

3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one (PubChem CID 50979819) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one
PubChem CID50979819
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1CCc1nc(CCc2ccccc2)n[nH]1
InChIInChI=1S/C20H19N5O/c26-20-17(21-15-8-4-5-9-16(15)22-20)11-13-19-23-18(24-25-19)12-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,26)(H,23,24,25)
InChIKeyGADPNEZVEQJEML-UHFFFAOYSA-N
XLogP2.61
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
CID 61337716
[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79601055
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815543
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
(5S)-5-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]imidazolidine-2,4-dione
CID 95144362
3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 72915693
2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid
CID 142706844
5-[(4-methylsulfonylphenyl)methyl]-3-(2-phenylethyl)-1H-1,2,4-triazole
CID 50958608
3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one
CID 121209654
benzene-1,2-diamine;3-benzyl-1H-quinoxalin-2-one;2-oxo-3-phenylpropanoic acid
CID 160851609
3-(azidomethyl)-1H-quinoxalin-2-one
CID 55137763
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108733038

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one (CID 50979819) is 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1CCc1nc(CCc2ccccc2)n[nH]1.
What is the InChIKey of 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The InChIKey is GADPNEZVEQJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20-17(21-15-8-4-5-9-16(15)22-20)11-13-19-23-18(24-25-19)12-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,26)(H,23,24,25).
What are the key properties of 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one?
3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one has a molecular weight of 345.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 50979819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).