[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

C17H15Cl2N5O3 — CID 42961273

IUPAC[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCC(NC(=O)COC(=O)Cc1nc2ncccn2n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O3/c1-10(12-4-3-11(18)7-13(12)19)21-15(25)9-27-16(26)8-14-22-17-20-5-2-6-24(17)23-14/h2-7,10H,8-9H2,1H3,(H,21,25)
InChIKeyGYSKNHBHTPGNGZ-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.39
Rot. Bonds6

About [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (PubChem CID 42961273) has the molecular formula C17H15Cl2N5O3 and a molecular weight of 408.25 g/mol. Its IUPAC name is [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.

Molecular Properties

Compound Name[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
PubChem CID42961273
Molecular FormulaC17H15Cl2N5O3
Molecular Weight408.25 g/mol
Exact Mass407.06
IUPAC Name[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCC(NC(=O)COC(=O)Cc1nc2ncccn2n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O3/c1-10(12-4-3-11(18)7-13(12)19)21-15(25)9-27-16(26)8-14-22-17-20-5-2-6-24(17)23-14/h2-7,10H,8-9H2,1H3,(H,21,25)
InChIKeyGYSKNHBHTPGNGZ-UHFFFAOYSA-N
XLogP2.39
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661329
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672062
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515658
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42978732
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613267
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 42978722
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473372
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55367144
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515584
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40551951
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2506559

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The IUPAC name of [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (CID 42961273) is [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.
What is the SMILES notation for [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The canonical SMILES for [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is CC(NC(=O)COC(=O)Cc1nc2ncccn2n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The InChIKey is GYSKNHBHTPGNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O3/c1-10(12-4-3-11(18)7-13(12)19)21-15(25)9-27-16(26)8-14-22-17-20-5-2-6-24(17)23-14/h2-7,10H,8-9H2,1H3,(H,21,25).
What are the key properties of [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate has a molecular weight of 408.25 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is sourced from PubChem (CID 42961273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).