3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol

C12H16N4O — CID 117146249

IUPAC3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESCCN1CCC(c2nnc3c(O)cccn23)C1
InChIInChI=1S/C12H16N4O/c1-2-15-7-5-9(8-15)11-13-14-12-10(17)4-3-6-16(11)12/h3-4,6,9,17H,2,5,7-8H2,1H3
InChIKeyWOPKBCFPOANXSG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.24
Rot. Bonds2

About 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol

3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117146249) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID117146249
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESCCN1CCC(c2nnc3c(O)cccn23)C1
InChIInChI=1S/C12H16N4O/c1-2-15-7-5-9(8-15)11-13-14-12-10(17)4-3-6-16(11)12/h3-4,6,9,17H,2,5,7-8H2,1H3
InChIKeyWOPKBCFPOANXSG-UHFFFAOYSA-N
XLogP1.24
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146253
8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146481
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146542
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147420
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-ol
CID 117146296
2-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-8-ol
CID 117136102
[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145672
8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146365
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
3-(1-ethylpyrrolidin-3-yl)-7-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251624
3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146304
3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148281

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117146249) is 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol is CCN1CCC(c2nnc3c(O)cccn23)C1.
What is the InChIKey of 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is WOPKBCFPOANXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-15-7-5-9(8-15)11-13-14-12-10(17)4-3-6-16(11)12/h3-4,6,9,17H,2,5,7-8H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 232.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117146249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).