methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate

C14H16N4O5 — CID 122241487

IUPACmethyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2OC)nn1
InChIInChI=1S/C14H16N4O5/c1-21-9-4-5-10(12(6-9)22-2)15-13(19)8-18-7-11(16-17-18)14(20)23-3/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyWKWNMQQRGNBGTG-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.72
Rot. Bonds6

About methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate

methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate (PubChem CID 122241487) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
PubChem CID122241487
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Namemethyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2OC)nn1
InChIInChI=1S/C14H16N4O5/c1-21-9-4-5-10(12(6-9)22-2)15-13(19)8-18-7-11(16-17-18)14(20)23-3/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyWKWNMQQRGNBGTG-UHFFFAOYSA-N
XLogP0.72
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate 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

methyl 1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241395
methyl 1-[2-(4-acetamidoanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241471
N-(2,4-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081017
ethyl 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241516
methyl 1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 44511232
N-(2,4-dimethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749626
methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]triazole-4-carboxylate
CID 103642859
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
methyl 1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylate
CID 103642831
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate (CID 122241487) is methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate is COC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2OC)nn1.
What is the InChIKey of methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate?
The InChIKey is WKWNMQQRGNBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-21-9-4-5-10(12(6-9)22-2)15-13(19)8-18-7-11(16-17-18)14(20)23-3/h4-7H,8H2,1-3H3,(H,15,19).
What are the key properties of methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate?
methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate has a molecular weight of 320.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate is sourced from PubChem (CID 122241487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).