ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

C17H19N5O3 — CID 118707874

IUPACethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N2CCCCC2)n2nc(-c3ccco3)nc12
InChIInChI=1S/C17H19N5O3/c1-2-24-16(23)12-11-18-17(21-8-4-3-5-9-21)22-15(12)19-14(20-22)13-7-6-10-25-13/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyOHWDRCWCHNWDSA-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (PubChem CID 118707874) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
PubChem CID118707874
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Nameethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SMILESCCOC(=O)c1cnc(N2CCCCC2)n2nc(-c3ccco3)nc12
InChIInChI=1S/C17H19N5O3/c1-2-24-16(23)12-11-18-17(21-8-4-3-5-9-21)22-15(12)19-14(20-22)13-7-6-10-25-13/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyOHWDRCWCHNWDSA-UHFFFAOYSA-N
XLogP2.55
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-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 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The IUPAC name of ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (CID 118707874) is ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is CCOC(=O)c1cnc(N2CCCCC2)n2nc(-c3ccco3)nc12.
What is the InChIKey of ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The InChIKey is OHWDRCWCHNWDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-24-16(23)12-11-18-17(21-8-4-3-5-9-21)22-15(12)19-14(20-22)13-7-6-10-25-13/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-yl)-5-piperidin-1-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is sourced from PubChem (CID 118707874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).