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

C12H16N4O — CID 117146542

IUPAC3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESCCN1CCCC1c1nnc2c(O)cccn12
InChIInChI=1S/C12H16N4O/c1-2-15-7-3-5-9(15)11-13-14-12-10(17)6-4-8-16(11)12/h4,6,8-9,17H,2-3,5,7H2,1H3
InChIKeyWIEBEQSZNDPLHK-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.59
Rot. Bonds2

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

3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117146542) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID117146542
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESCCN1CCCC1c1nnc2c(O)cccn12
InChIInChI=1S/C12H16N4O/c1-2-15-7-3-5-9(15)11-13-14-12-10(17)6-4-8-16(11)12/h4,6,8-9,17H,2-3,5,7H2,1H3
InChIKeyWIEBEQSZNDPLHK-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147556
3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146249
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139115
2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-8-ol
CID 117136486
3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147521
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139190
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141578
methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117147526
3-(1-ethylpiperidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147552
3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117141643
8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146481
8-chloro-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146593

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117146542) is 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol is CCN1CCCC1c1nnc2c(O)cccn12.
What is the InChIKey of 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is WIEBEQSZNDPLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-15-7-3-5-9(15)11-13-14-12-10(17)6-4-8-16(11)12/h4,6,8-9,17H,2-3,5,7H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 232.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117146542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).