ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate

C14H19N5O2 — CID 165428234

IUPACethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2cccc3ncnn23)C1
InChIInChI=1S/C14H19N5O2/c1-2-21-14(20)18-7-6-11(9-18)15-8-12-4-3-5-13-16-10-17-19(12)13/h3-5,10-11,15H,2,6-9H2,1H3
InChIKeyGOGFAICNKXYMGY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.05
Rot. Bonds4

About ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate

ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate (PubChem CID 165428234) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate
PubChem CID165428234
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2cccc3ncnn23)C1
InChIInChI=1S/C14H19N5O2/c1-2-21-14(20)18-7-6-11(9-18)15-8-12-4-3-5-13-16-10-17-19(12)13/h3-5,10-11,15H,2,6-9H2,1H3
InChIKeyGOGFAICNKXYMGY-UHFFFAOYSA-N
XLogP1.05
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate
CID 142212446
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
ethyl (3R)-3-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrrolidine-1-carboxylate
CID 125448097
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
ethyl 4-(imidazo[1,2-a]pyridin-5-ylamino)piperidine-1-carboxylate
CID 102625354
ethyl (3S)-3-[2-(1-oxophthalazin-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125443421
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
2-methylpropyl 4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 86778919
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531

Frequently Asked Questions

What is the IUPAC name of ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate (CID 165428234) is ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(NCc2cccc3ncnn23)C1.
What is the InChIKey of ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate?
The InChIKey is GOGFAICNKXYMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-21-14(20)18-7-6-11(9-18)15-8-12-4-3-5-13-16-10-17-19(12)13/h3-5,10-11,15H,2,6-9H2,1H3.
What are the key properties of ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate?
ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 165428234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).