ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate

C17H26N4O3 — CID 154818610

IUPACethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)C2CCc3ncnn3C2)CCCCC1
InChIInChI=1S/C17H26N4O3/c1-2-24-15(22)10-17(8-4-3-5-9-17)20-16(23)13-6-7-14-18-12-19-21(14)11-13/h12-13H,2-11H2,1H3,(H,20,23)
InChIKeyZLFNSGRNPQNNSB-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.61
Rot. Bonds5

About ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate

ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate (PubChem CID 154818610) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate
PubChem CID154818610
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)C2CCc3ncnn3C2)CCCCC1
InChIInChI=1S/C17H26N4O3/c1-2-24-15(22)10-17(8-4-3-5-9-17)20-16(23)13-6-7-14-18-12-19-21(14)11-13/h12-13H,2-11H2,1H3,(H,20,23)
InChIKeyZLFNSGRNPQNNSB-UHFFFAOYSA-N
XLogP1.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate 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 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate (CID 154818610) is ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate is CCOC(=O)CC1(NC(=O)C2CCc3ncnn3C2)CCCCC1.
What is the InChIKey of ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate?
The InChIKey is ZLFNSGRNPQNNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-24-15(22)10-17(8-4-3-5-9-17)20-16(23)13-6-7-14-18-12-19-21(14)11-13/h12-13H,2-11H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate?
ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate has a molecular weight of 334.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate is sourced from PubChem (CID 154818610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).