2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one

C8H15N3O2 — CID 67836233

IUPAC2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one
SMILESO=C1CCCN2CN(CCO)NC12
InChIInChI=1S/C8H15N3O2/c12-5-4-11-6-10-3-1-2-7(13)8(10)9-11/h8-9,12H,1-6H2
InChIKeyLVPUWHREASGLDA-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.25
Rot. Bonds2

About 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one

2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one (PubChem CID 67836233) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one
PubChem CID67836233
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one
SMILESO=C1CCCN2CN(CCO)NC12
InChIInChI=1S/C8H15N3O2/c12-5-4-11-6-10-3-1-2-7(13)8(10)9-11/h8-9,12H,1-6H2
InChIKeyLVPUWHREASGLDA-UHFFFAOYSA-N
XLogP-1.25
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one with MolForge

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Related Compounds

2-piperidin-1-ylcyclopentan-1-one
CID 15566705
2-hydroxy-1-(2-hydroxyethyl)pyrrolidin-3-one
CID 173052176
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
2-[3-(hydroxymethyl)pyrrolidin-1-yl]cyclopentan-1-one
CID 112626361
2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one
CID 69461163
2-(3-hydroxypiperidin-1-yl)cyclopentan-1-one
CID 62037163
2-(4-propylpiperazin-1-yl)cyclopentan-1-one
CID 43794313
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]cyclopentan-1-one
CID 107223629
1-(2-hydroxyethyl)piperidin-4-one
CID 15006446
1-methyl-4-oxoazepane-3-carboxylic acid
CID 133055175
1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758
(3aR,6aR)-5-(2-hydroxyethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129495804

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one?
The IUPAC name of 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one (CID 67836233) is 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one?
The canonical SMILES for 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one is O=C1CCCN2CN(CCO)NC12.
What is the InChIKey of 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one?
The InChIKey is LVPUWHREASGLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c12-5-4-11-6-10-3-1-2-7(13)8(10)9-11/h8-9,12H,1-6H2.
What are the key properties of 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one?
2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one has a molecular weight of 185.23 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1,3,5,6,7,8a-hexahydro-[1,2,4]triazolo[4,3-a]pyridin-8-one is sourced from PubChem (CID 67836233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).