N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C15H16N6O2S — CID 108733038

IUPACN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCSc1n[nH]c(NC(=O)CCc2nc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C15H16N6O2S/c1-2-24-15-19-14(20-21-15)18-12(22)8-7-11-13(23)17-10-6-4-3-5-9(10)16-11/h3-6H,2,7-8H2,1H3,(H,17,23)(H2,18,19,20,21,22)
InChIKeyDNAFXRDHKARAND-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.72
Rot. Bonds6

About N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 108733038) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID108733038
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCSc1n[nH]c(NC(=O)CCc2nc3ccccc3[nH]c2=O)n1
InChIInChI=1S/C15H16N6O2S/c1-2-24-15-19-14(20-21-15)18-12(22)8-7-11-13(23)17-10-6-4-3-5-9(10)16-11/h3-6H,2,7-8H2,1H3,(H,17,23)(H2,18,19,20,21,22)
InChIKeyDNAFXRDHKARAND-UHFFFAOYSA-N
XLogP1.72
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide with MolForge

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164774
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-oxo-4-phenylbutanamide
CID 108733128
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
3-(4-ethoxyphenyl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
CID 46741020
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108727285
3-(3-oxo-4H-quinoxalin-2-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 19164914
3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 108742100

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 108733038) is N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CCSc1n[nH]c(NC(=O)CCc2nc3ccccc3[nH]c2=O)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is DNAFXRDHKARAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-2-24-15-19-14(20-21-15)18-12(22)8-7-11-13(23)17-10-6-4-3-5-9(10)16-11/h3-6H,2,7-8H2,1H3,(H,17,23)(H2,18,19,20,21,22).
What are the key properties of N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 344.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 108733038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).