N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide

C13H11N5O2 — CID 13385787

IUPACN-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nc2ccccc2n2cnnc12
InChIInChI=1S/C13H11N5O2/c1-8(19)18(9(2)20)12-13-16-14-7-17(13)11-6-4-3-5-10(11)15-12/h3-7H,1-2H3
InChIKeyRMZSPVYHYHHOEK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.18
Rot. Bonds1

About N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide

N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide (PubChem CID 13385787) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
PubChem CID13385787
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nc2ccccc2n2cnnc12
InChIInChI=1S/C13H11N5O2/c1-8(19)18(9(2)20)12-13-16-14-7-17(13)11-6-4-3-5-10(11)15-12/h3-7H,1-2H3
InChIKeyRMZSPVYHYHHOEK-UHFFFAOYSA-N
XLogP1.18
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 102059594
N-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6619923
4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 6460812
ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
CID 53125790
4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7677782
4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)methyl]benzoic acid
CID 20880177
propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate
CID 20880184
N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6622885
N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082592
4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7304641
methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate
CID 95915705
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide?
The IUPAC name of N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide (CID 13385787) is N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide.
What is the SMILES notation for N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide?
The canonical SMILES for N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide is CC(=O)N(C(C)=O)c1nc2ccccc2n2cnnc12.
What is the InChIKey of N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide?
The InChIKey is RMZSPVYHYHHOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8(19)18(9(2)20)12-13-16-14-7-17(13)11-6-4-3-5-10(11)15-12/h3-7H,1-2H3.
What are the key properties of N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide?
N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide is sourced from PubChem (CID 13385787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).