ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate

C18H20N4O3 — CID 54370194

IUPACethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc(OCC)c2nnn(CC)c12
InChIInChI=1S/C18H20N4O3/c1-4-22-16-13(18(23)25-6-3)14(12-10-8-7-9-11-12)19-17(24-5-2)15(16)20-21-22/h7-11H,4-6H2,1-3H3
InChIKeyUSQGZAOQNXQGGF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.09
Rot. Bonds6

About ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate

ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate (PubChem CID 54370194) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate
PubChem CID54370194
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc(OCC)c2nnn(CC)c12
InChIInChI=1S/C18H20N4O3/c1-4-22-16-13(18(23)25-6-3)14(12-10-8-7-9-11-12)19-17(24-5-2)15(16)20-21-22/h7-11H,4-6H2,1-3H3
InChIKeyUSQGZAOQNXQGGF-UHFFFAOYSA-N
XLogP3.09
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-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 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
CID 154709525
CID 154709525
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
CID 10853649
ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate
CID 54479137
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate (CID 54370194) is ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc(OCC)c2nnn(CC)c12.
What is the InChIKey of ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate?
The InChIKey is USQGZAOQNXQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-22-16-13(18(23)25-6-3)14(12-10-8-7-9-11-12)19-17(24-5-2)15(16)20-21-22/h7-11H,4-6H2,1-3H3.
What are the key properties of ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate?
ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate is sourced from PubChem (CID 54370194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).