3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol

C12H20N4O — CID 117148281

IUPAC3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESCCN1CCC(c2nnc3n2CC(O)CC3)C1
InChIInChI=1S/C12H20N4O/c1-2-15-6-5-9(7-15)12-14-13-11-4-3-10(17)8-16(11)12/h9-10,17H,2-8H2,1H3
InChIKeyZUWJJPGNEMGZMO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.39
Rot. Bonds2

About 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol

3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117148281) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117148281
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESCCN1CCC(c2nnc3n2CC(O)CC3)C1
InChIInChI=1S/C12H20N4O/c1-2-15-6-5-9(7-15)12-14-13-11-4-3-10(17)8-16(11)12/h9-10,17H,2-8H2,1H3
InChIKeyZUWJJPGNEMGZMO-UHFFFAOYSA-N
XLogP0.39
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol with MolForge

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Related Compounds

3-(1-propan-2-ylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148328
3-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148380
3-(oxan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148440
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
3-(1-ethylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117150625
1-chloro-3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117248259
3-(thiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148500
3-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151139
3-(thian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148549
3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146249
3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147818
3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117149189

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117148281) is 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is CCN1CCC(c2nnc3n2CC(O)CC3)C1.
What is the InChIKey of 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is ZUWJJPGNEMGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-15-6-5-9(7-15)12-14-13-11-4-3-10(17)8-16(11)12/h9-10,17H,2-8H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-(1-ethylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 236.32 g/mol, XLogP of 0.39, 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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117148281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).