ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate

C18H21N5O3 — CID 20961762

IUPACethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C)nc3nc(-c4ccco4)nn23)CC1
InChIInChI=1S/C18H21N5O3/c1-3-25-17(24)13-6-8-22(9-7-13)15-11-12(2)19-18-20-16(21-23(15)18)14-5-4-10-26-14/h4-5,10-11,13H,3,6-9H2,1-2H3
InChIKeyHMOMFEPIGHSRFM-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.47
Rot. Bonds4

About ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate

ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate (PubChem CID 20961762) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
PubChem CID20961762
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Nameethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C)nc3nc(-c4ccco4)nn23)CC1
InChIInChI=1S/C18H21N5O3/c1-3-25-17(24)13-6-8-22(9-7-13)15-11-12(2)19-18-20-16(21-23(15)18)14-5-4-10-26-14/h4-5,10-11,13H,3,6-9H2,1-2H3
InChIKeyHMOMFEPIGHSRFM-UHFFFAOYSA-N
XLogP2.47
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 23608410
ethyl 1-[(S)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperidine-4-carboxylate
CID 92784189
ethyl 1-[[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate
CID 53202420
ethyl 1-[2-(furan-2-yl)benzoyl]piperidine-4-carboxylate
CID 168527063
ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate
CID 103201110
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
N-[(Z)-butan-2-ylideneamino]-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 11778609
2-(furan-2-yl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50800082
methyl 4-[[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzoate
CID 20961731
ethyl 4-[4-[[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]methyl]anilino]cyclohexane-1-carboxylate
CID 69437349
ethyl 1-[[2,3-bis(furan-2-yl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylate
CID 1072904
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate (CID 20961762) is ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C)nc3nc(-c4ccco4)nn23)CC1.
What is the InChIKey of ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The InChIKey is HMOMFEPIGHSRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-25-17(24)13-6-8-22(9-7-13)15-11-12(2)19-18-20-16(21-23(15)18)14-5-4-10-26-14/h4-5,10-11,13H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate has a molecular weight of 355.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate is sourced from PubChem (CID 20961762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).