ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

C11H14N4O2 — CID 12916106

IUPACethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
SMILESCCOC(=O)c1cnn2c(CC)nc(C)nc12
InChIInChI=1S/C11H14N4O2/c1-4-9-13-7(3)14-10-8(6-12-15(9)10)11(16)17-5-2/h6H,4-5H2,1-3H3
InChIKeyQLCFPIQKMQINLH-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.17
Rot. Bonds3

About ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate (PubChem CID 12916106) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
PubChem CID12916106
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
SMILESCCOC(=O)c1cnn2c(CC)nc(C)nc12
InChIInChI=1S/C11H14N4O2/c1-4-9-13-7(3)14-10-8(6-12-15(9)10)11(16)17-5-2/h6H,4-5H2,1-3H3
InChIKeyQLCFPIQKMQINLH-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

Analyze ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate (CID 12916106) is ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate is CCOC(=O)c1cnn2c(CC)nc(C)nc12.
What is the InChIKey of ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate?
The InChIKey is QLCFPIQKMQINLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-9-13-7(3)14-10-8(6-12-15(9)10)11(16)17-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate?
ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-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 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate is sourced from PubChem (CID 12916106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).