ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C13H12N4O2S — CID 138756381

IUPACethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2ncnn2c1-c1ccsc1
InChIInChI=1S/C13H12N4O2S/c1-3-19-12(18)10-8(2)16-13-14-7-15-17(13)11(10)9-4-5-20-6-9/h4-7H,3H2,1-2H3
InChIKeyLWKLQUZJAIPJNR-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.34
Rot. Bonds3

About ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 138756381) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID138756381
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Nameethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2ncnn2c1-c1ccsc1
InChIInChI=1S/C13H12N4O2S/c1-3-19-12(18)10-8(2)16-13-14-7-15-17(13)11(10)9-4-5-20-6-9/h4-7H,3H2,1-2H3
InChIKeyLWKLQUZJAIPJNR-UHFFFAOYSA-N
XLogP2.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

ethyl 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 46900211
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 166182056
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271415
ethyl 2-[7-(azonan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 46096736
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 165461517
ethyl 2,6-dimethyl-7-oxo-4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
CID 122452310
4,6-dimethyl-2-thiophen-3-ylpyrimidine-5-carboxylic acid
CID 62745767
ethyl 5-(4-thiophen-3-ylphenyl)-2H-triazole-4-carboxylate
CID 169401570
ethyl 2-[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 46096747
ethyl 4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 59014091

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 138756381) is ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1c(C)nc2ncnn2c1-c1ccsc1.
What is the InChIKey of ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is LWKLQUZJAIPJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-3-19-12(18)10-8(2)16-13-14-7-15-17(13)11(10)9-4-5-20-6-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 138756381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).