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

C20H23N5O2 — CID 23608410

IUPACethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C)nc3nc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C20H23N5O2/c1-3-27-19(26)16-9-11-24(12-10-16)17-13-14(2)21-20-22-18(23-25(17)20)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyAGDRLEUZXDWXOC-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.88
Rot. Bonds4

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

ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate (PubChem CID 23608410) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
PubChem CID23608410
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Nameethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C)nc3nc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C20H23N5O2/c1-3-27-19(26)16-9-11-24(12-10-16)17-13-14(2)21-20-22-18(23-25(17)20)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyAGDRLEUZXDWXOC-UHFFFAOYSA-N
XLogP2.88
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate (CID 23608410) is ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C)nc3nc(-c4ccccc4)nn23)CC1.
What is the InChIKey of ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate?
The InChIKey is AGDRLEUZXDWXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-27-19(26)16-9-11-24(12-10-16)17-13-14(2)21-20-22-18(23-25(17)20)15-7-5-4-6-8-15/h4-8,13,16H,3,9-12H2,1-2H3.
What are the key properties of ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate?
ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate has a molecular weight of 365.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate is sourced from PubChem (CID 23608410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).