8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C12H16N4O — CID 84750916

IUPAC8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOc1cccn2c(C3CCCN3)nnc12
InChIInChI=1S/C12H16N4O/c1-2-17-10-6-4-8-16-11(14-15-12(10)16)9-5-3-7-13-9/h4,6,8-9,13H,2-3,5,7H2,1H3
InChIKeyNYBPJLPWDKYVPP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.55
Rot. Bonds3

About 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine

8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 84750916) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID84750916
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOc1cccn2c(C3CCCN3)nnc12
InChIInChI=1S/C12H16N4O/c1-2-17-10-6-4-8-16-11(14-15-12(10)16)9-5-3-7-13-9/h4,6,8-9,13H,2-3,5,7H2,1H3
InChIKeyNYBPJLPWDKYVPP-UHFFFAOYSA-N
XLogP1.55
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915
8-methyl-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750908
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
1-bromo-8-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine
CID 117254809
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole
CID 100589849
6-fluoro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750912
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 84750916) is 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CCOc1cccn2c(C3CCCN3)nnc12.
What is the InChIKey of 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NYBPJLPWDKYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-17-10-6-4-8-16-11(14-15-12(10)16)9-5-3-7-13-9/h4,6,8-9,13H,2-3,5,7H2,1H3.
What are the key properties of 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 232.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 84750916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).