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

C11H14N4O2 — CID 16583864

IUPACethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(CC)nn2c1C
InChIInChI=1S/C11H14N4O2/c1-4-9-13-11-12-6-8(10(16)17-5-2)7(3)15(11)14-9/h6H,4-5H2,1-3H3
InChIKeyZITMBTKCPPYOAW-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.17
Rot. Bonds3

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

ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 16583864) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID16583864
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(CC)nn2c1C
InChIInChI=1S/C11H14N4O2/c1-4-9-13-11-12-6-8(10(16)17-5-2)7(3)15(11)14-9/h6H,4-5H2,1-3H3
InChIKeyZITMBTKCPPYOAW-UHFFFAOYSA-N
XLogP1.17
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(hydroxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 66490634
ethyl 7-amino-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28740744
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
ethyl 7-amino-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1419083
ethyl 2-(diethylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972867
ethyl 2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4737233
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 7-[(4-fluorophenyl)sulfonylamino]-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3770734
ethyl 2-[2-(diethylamino)ethyl]-4-ethylpyrimidine-5-carboxylate
CID 102972785
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
CID 102972424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 16583864) is ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2nc(CC)nn2c1C.
What is the InChIKey of ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is ZITMBTKCPPYOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-9-13-11-12-6-8(10(16)17-5-2)7(3)15(11)14-9/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 16583864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).