ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C15H23N3O2 — CID 168894245

IUPACethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCCOC(=O)C1CCc2nnc(C3CCCCC3)n2C1
InChIInChI=1S/C15H23N3O2/c1-2-20-15(19)12-8-9-13-16-17-14(18(13)10-12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3
InChIKeyAUIOPVIVRDASCR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.45
Rot. Bonds3

About ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 168894245) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID168894245
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCCOC(=O)C1CCc2nnc(C3CCCCC3)n2C1
InChIInChI=1S/C15H23N3O2/c1-2-20-15(19)12-8-9-13-16-17-14(18(13)10-12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3
InChIKeyAUIOPVIVRDASCR-UHFFFAOYSA-N
XLogP2.45
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 168894245) is ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is CCOC(=O)C1CCc2nnc(C3CCCCC3)n2C1.
What is the InChIKey of ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is AUIOPVIVRDASCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-20-15(19)12-8-9-13-16-17-14(18(13)10-12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 168894245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).