ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate

C17H26N6O2 — CID 53202457

IUPACethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2nc3nc(C)cc(N(C)C)n3n2)C1
InChIInChI=1S/C17H26N6O2/c1-5-25-16(24)13-7-6-8-22(10-13)11-14-19-17-18-12(2)9-15(21(3)4)23(17)20-14/h9,13H,5-8,10-11H2,1-4H3
InChIKeyNSFYYGRROSZNCP-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.27
Rot. Bonds5

About ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate

ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate (PubChem CID 53202457) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate
PubChem CID53202457
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Nameethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2nc3nc(C)cc(N(C)C)n3n2)C1
InChIInChI=1S/C17H26N6O2/c1-5-25-16(24)13-7-6-8-22(10-13)11-14-19-17-18-12(2)9-15(21(3)4)23(17)20-14/h9,13H,5-8,10-11H2,1-4H3
InChIKeyNSFYYGRROSZNCP-UHFFFAOYSA-N
XLogP1.27
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate (CID 53202457) is ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2nc3nc(C)cc(N(C)C)n3n2)C1.
What is the InChIKey of ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate?
The InChIKey is NSFYYGRROSZNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-25-16(24)13-7-6-8-22(10-13)11-14-19-17-18-12(2)9-15(21(3)4)23(17)20-14/h9,13H,5-8,10-11H2,1-4H3.
What are the key properties of ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate?
ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate has a molecular weight of 346.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[7-(dimethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate is sourced from PubChem (CID 53202457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).